1,8-Dinitropyrene (1,8-DNP) is a highly mutagenic and carcinogenic polycyclic aromatic hydrocarbon (PAH) that has been identified as a major environmental contaminant. It is formed during the incomplete combustion of organic materials, such as coal, oil, and wood, and is often found in diesel exhaust, soot, and air particulate matter. 1,8-DNP is a potent mutagen and has been shown to induce a wide range of genetic mutations in various organisms. It is also a known carcinogen and has been linked to an increased risk of lung cancer, bladder cancer, and other cancers. The potent mutagenicity and carcinogenicity of 1,8-DNP, along with its widespread presence in the environment, make it a significant public health concern. Research into 1,8-DNP focuses on understanding its formation pathways, developing methods for its detection and remediation, and investigating its potential health effects.'
| ID Source | ID |
|---|---|
| PubMed CID | 39185 |
| CHEMBL ID | 163824 |
| CHEBI ID | 34069 |
| SCHEMBL ID | 1804954 |
| MeSH ID | M0103415 |
| Synonym |
|---|
| BIDD:ER0475 |
| pyrene, 1,8-dinitro- |
| ccris 2585 |
| 1,8-dinitropyrene [nitroarenes] |
| brn 3413165 |
| 1,8-dinitropyrene |
| 42397-65-9 |
| 1,8-dinitropyrene, 98% |
| FT-0639790 |
| 1,8-dinitro-pyrene |
| chebi:34069 , |
| CHEMBL163824 |
| unii-51u7e9mw6i |
| 51u7e9mw6i , |
| hsdb 7873 |
| AKOS015913607 |
| 1,8-dinitropyrene [hsdb] |
| dinitropyrene, 1,8- |
| 1,8-dinitropyrene [iarc] |
| SCHEMBL1804954 |
| BLYXNIHKOMELAP-UHFFFAOYSA-N |
| DTXSID2073514 |
| 121700-15-0 |
| Q3596749 |
| 1,8-dinitropyrene (90per cent) |
| 1,8-dinitropyrene-d8 |
| Excerpt | Reference | Relevance |
|---|---|---|
| " The rate of absorption of DNP from the small intestine was greater than that from the large intestine, although overall uptake of the compound was poor (more than 80% of the original dose was recovered from the ligated small intestine after 120 min)." | ( Distribution and excretion of 1,8-dinitro[14C]pyrene in the mouse. Combes, RD; Rowland, IR; Shah, AB, 1990) | 0.28 |
| Excerpt | Relevance | Reference |
|---|---|---|
| " Unusual dose-response curves were obtained in that toxicity and genetic activity decreased at the higher concentrations examined." | ( The genetic activity of dinitropyrenes in yeast: unusual dose response curves for induced mitotic gene conversion. Parry, JM; Wilcox, P, 1981) | 0.26 |
| " Dose-response mutagenicity curves of 1-NP; 1,6-DNP and 1,8-DNP were obtained." | ( Antimutagenic activity of carotenoids in green peppers against some nitroarenes. Gonzáez de Mejía, E; Loarca-Piña, G; Quintanar-Hernández, A, 1998) | 0.3 |
| Class | Description |
|---|---|
| pyrenes | |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID200690 | Mutagenic activity in an Ames test on Salmonella Typhimurium TA98; Activity is log of revertants/nmol | 1991 | Journal of medicinal chemistry, Feb, Volume: 34, Issue:2 | Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. Correlation with molecular orbital energies and hydrophobicity. |
| AID23442 | Partition coefficient (logP) | 1991 | Journal of medicinal chemistry, Feb, Volume: 34, Issue:2 | Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. Correlation with molecular orbital energies and hydrophobicity. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 40 (42.55) | 18.7374 |
| 1990's | 39 (41.49) | 18.2507 |
| 2000's | 12 (12.77) | 29.6817 |
| 2010's | 3 (3.19) | 24.3611 |
| 2020's | 0 (0.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.
| This Compound (17.20) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 4 (4.08%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 94 (95.92%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|---|---|---|---|---|
| dinitrochlorobenzene Dinitrochlorobenzene: A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds.. 1-chloro-2,4-dinitrobenzene : A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions. | 3.07 | 1 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
| 4-nitrobenzaldehyde 4-nitrobenzaldehyde: RN given refers to parent cpd. 4-nitrobenzaldehyde : A C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group. | 3.07 | 1 | 0 | benzaldehydes; C-nitro compound | |
| dimethyl sulfoxide Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents. | 2.66 | 3 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
| 1-octanol 1-Octanol: A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). octan-1-ol : An octanol carrying the hydroxy group at position 1. | 1.98 | 1 | 0 | octanol; primary alcohol | antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite |
| sulfur dioxide Sulfur Dioxide: A highly toxic, colorless, nonflammable gas. It is used as a pharmaceutical aid and antioxidant. It is also an environmental air pollutant. | 2.11 | 1 | 0 | sulfur oxide | Escherichia coli metabolite; food bleaching agent; refrigerant |
| 2,4-dinitrophenol 2,4-Dinitrophenol: A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed). dinitrophenol : Members of the class of nitrophenol carrying two nitro substituents.. 2,4-dinitrophenol : A dinitrophenol having the nitro groups at the 2- and 4-positions. | 1.96 | 1 | 0 | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
| 2-aminofluorene [no description available] | 2 | 1 | 0 | ||
| 7-nitroindazole 7-nitroindazole: an inhibitor of nitric oxide synthase; exhibits anti-nociceptive activity without increasing blood pressure | 3.07 | 1 | 0 | ||
| benzo(a)pyrene Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. | 2.68 | 3 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
| beta-naphthoflavone beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone. | 1.99 | 1 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
| ellipticine ellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. | 1.97 | 1 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
| metronidazole Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.. metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death. | 3.07 | 1 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
| quinone benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.. 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included). | 2.07 | 1 | 0 | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
| hydroxyacetylaminofluorene Hydroxyacetylaminofluorene: A N-hydroxylated derivative of 2-ACETYLAMINOFLUORENE that has demonstrated carcinogenic action. | 2.39 | 2 | 0 | 2-acetamidofluorenes | |
| 2-acetylaminofluorene 2-Acetylaminofluorene: A hepatic carcinogen whose mechanism of activation involves N-hydroxylation to the aryl hydroxamic acid followed by enzymatic sulfonation to sulfoxyfluorenylacetamide. It is used to study the carcinogenicity and mutagenicity of aromatic amines. | 1.99 | 1 | 0 | 2-acetamidofluorenes | antimitotic; carcinogenic agent; epitope; mutagen |
| 4-nitroquinoline-1-oxide 4-nitroquinoline N-oxide : A quinoline N-oxide carrying a nitro substituent at position 4. | 2.9 | 4 | 0 | C-nitro compound; quinoline N-oxide | carcinogenic agent |
| niridazole Niridazole: An antischistosomal agent that has become obsolete. | 3.07 | 1 | 0 | 1,3-thiazoles; C-nitro compound | |
| dinitrofluorobenzene Dinitrofluorobenzene: Irritants and reagents for labeling terminal amino acid groups.. 1-fluoro-2,4-dinitrobenzene : The organofluorine compound that is benzene with a fluoro substituent at the 1-position and two nitro substituents in the 2- and 4-positions. | 3.07 | 1 | 0 | C-nitro compound; organofluorine compound | agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent |
| histidine Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. | 1.98 | 1 | 0 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
| taurocholic acid Taurocholic Acid: The product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic.. taurocholate : An organosulfonate oxoanion that is the conjugate base of taurocholic acid.. taurocholic acid : A bile acid taurine conjugate of cholic acid that usually occurs as the sodium salt of bile in mammals. | 1.97 | 1 | 0 | amino sulfonic acid; bile acid taurine conjugate | human metabolite |
| 1-nitronaphthalene 1-nitronaphthalene: RN given refers to cpd with locant for nitro moiety in 1 position. 1-nitronaphthalene : A mononitronaphthalene substituted by a nitro group at position 1.. mononitronaphthalene : A nitronaphthalene carrying a single nitro group at unspecified position.. nitronaphthalene : A nitroarene that is naphthalene substituted by at least one nitro group. | 3.07 | 1 | 0 | mononitronaphthalene | environmental contaminant; mouse metabolite |
| 1-chloro-2-nitrobenzene [no description available] | 3.07 | 1 | 0 | C-nitro compound; monochlorobenzenes | |
| 2,5-dichloronitrobenzene [no description available] | 3.07 | 1 | 0 | ||
| quinoxalines quinoxaline : A naphthyridine in which the nitrogens are at positions 1 and 4. | 1.98 | 1 | 0 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
| 2-nitroanisole 2-nitroanisole : A member of the class of 2-nitroanisoles that is anisole in which one of the hydrogens ortho to the methoxy group is replaced by a nitro group. | 3.07 | 1 | 0 | 2-nitroanisoles | carcinogenic agent |
| 4-nitrobiphenyl 4-nitrobiphenyl: structure given in first source | 3.07 | 1 | 0 | biphenyls | |
| 2,4-dinitroaniline 2,4-dinitroaniline : A nitroaniline consisting of an aniline core having two nitro substituents located at the 2- and 4-positions. | 3.07 | 1 | 0 | nitroaniline | |
| nitrobenzene nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. | 3.07 | 1 | 0 | nitroarene; nitrobenzenes | |
| 1,2-dichloro-4-nitrobenzene [no description available] | 3.07 | 1 | 0 | ||
| 3-dinitrobenzene dinitrobenzene : Any member of the class of nitrobenzenes that consists of a benzene ring substituted by two nitro groups. A closed class.. 1,3-dinitrobenzene : A dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups. | 3.07 | 1 | 0 | dinitrobenzene | neurotoxin |
| 4-chloronitrobenzene [no description available] | 3.07 | 1 | 0 | C-nitro compound | |
| 4-nitroanisole 4-nitroanisole: dye intermediate; organic synthesis; structure. 4-nitroanisole : A member of the class of 4-nitroanisoles that is anisole in which one the hydrogen meta to the methoxy group is replaced by a nitro group. | 3.07 | 1 | 0 | 4-nitroanisoles | |
| 4-nitroacetophenone 4-nitroacetophenone : A member of the class of acetophenones that is acetophenone substituted at the para-position by a nitro group. | 3.07 | 1 | 0 | acetophenones; C-nitro compound | |
| 1,4-dinitrobenzene 1,4-dinitrobenzene : A dinitrobenzene carrying nitro groups at positions 1 and 4. | 3.07 | 1 | 0 | dinitrobenzene | |
| 2,4-dinitroanisole 2,4-dinitroanisole : A member of the class of dinitroanisoles that is 2-nitroanisole in which the hydrogen para to the methoxy group is replaced by a second nitro group. | 3.07 | 1 | 0 | dinitroanisoles | explosive |
| 2,4,7-trinitrofluorenone 2,4,7-trinitrofluorenone: structure | 3.07 | 1 | 0 | ||
| 1-naphthylamine 1-Naphthylamine: A suspected industrial carcinogen (and listed as such by OSHA). Its N-hydroxy metabolite is strongly carcinogenic and mutagenic.. naphthylamine : A primary arylamine that is naphthalene substituted by an amino group at unspecified position.. 1-naphthylamine : A naphthylamine that is naphthalene substituted by an amino group at position 1. | 1.98 | 1 | 0 | naphthylamine | human xenobiotic metabolite |
| fluoranthene fluoranthene: structure. fluoranthene : An ortho- and peri-fused polycyclic arene consisting of a naphthalene and benzene unit connected by a five-membered ring. | 6.97 | 1 | 0 | ortho- and peri-fused polycyclic arene | |
| glycocholic acid Glycocholic Acid: The glycine conjugate of CHOLIC ACID. It acts as a detergent to solubilize fats for absorption and is itself absorbed.. glycocholic acid : A bile acid glycine conjugate having cholic acid as the bile acid component.. glycocholate : A cholanic acid conjugate anion that is the conjugate base of glycocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. | 1.97 | 1 | 0 | bile acid glycine conjugate | human metabolite |
| 1,2-dinitrobenzene [no description available] | 3.07 | 1 | 0 | dinitrobenzene | |
| 2-nitrobenzaldehyde 2-nitrobenzaldehyde: structure given in first source. 2-nitrobenzaldehyde : Benzaldehyde substituted at the ortho-position with a nitro group. | 3.07 | 1 | 0 | benzaldehydes; C-nitro compound | |
| 2-nitronaphthalene 2-nitronaphthalene : A mononitronaphthalene carrying a nitro group at position 2. | 3.48 | 2 | 0 | mononitronaphthalene | |
| 9-nitroanthracene 9-nitroanthracene: RN given refers to cpd with locant for nitro moiety in 5 position | 3.07 | 1 | 0 | anthracenes | |
| 5-nitroacenaphthene [no description available] | 3.07 | 1 | 0 | nitronaphthalene | |
| alpha-naphthoflavone alpha-naphthoflavone: inhibits P4501A1 and P4501A2; stimulates some activities of P4503A4. alpha-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14). | 1.99 | 1 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor |
| erythropoietin 1,5-dinitronaphthalene: structure in first source. 1,5-dinitronaphthalene : A dinitronaphthalene carrying nitro groups at positions 1 and 5. | 3.07 | 1 | 0 | dinitronaphthalene | genotoxin |
| 1,3-dinitronaphthalene 1,3-dinitronaphthalene: structure given in first source | 3.07 | 1 | 0 | dinitronaphthalene | |
| 5-nitroquinoline [no description available] | 3.07 | 1 | 0 | ||
| 2-nitrofluorene 2-nitrofluorene: RN given refers to cpd with locant with nitro moiety in 2 position. 2-nitrofluorene : A nitroarene that is fluorene substituted by a nitro group at position 2. | 4 | 4 | 0 | nitroarene | carcinogenic agent; mutagen |
| 2,4-dichloro-1-nitrobenzene [no description available] | 3.07 | 1 | 0 | ||
| 2-anthramine 2-anthramine: structure | 2.39 | 2 | 0 | anthracenamine | |
| acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | 1.98 | 1 | 0 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
| 5-nitro-2-furaldehyde [no description available] | 3.07 | 1 | 0 | C-nitro compound; furans | |
| 2-nitropyrene [no description available] | 3.07 | 1 | 0 | pyrenes | |
| 3-nitrofluoranthene 3-nitrofluoranthene: environmental carcinogen from diesel exhaust | 8.47 | 2 | 0 | nitronaphthalene | |
| 2-amino-7-nitrofluorene 2-amino-7-nitrofluorene: structure in first source | 3.07 | 1 | 0 | ||
| 1-aminopyrene [no description available] | 1.97 | 1 | 0 | ||
| 2-bromo-4,6-dinitroaniline 2-bromo-4,6-dinitroaniline: used in synthesis of commercially significant monoazo dyes | 3.07 | 1 | 0 | ||
| 6-chrysenamine 6-chrysenamine: may cause splenic atrophy and leukopenia; minor descriptor (76-84); on-line & Index Medicus search PHENANTHRENES (76-84) | 2 | 1 | 0 | carbopolycyclic compound | |
| 5-nitroindazole [no description available] | 3.07 | 1 | 0 | ||
| 2,7-dinitrofluorene [no description available] | 3.07 | 1 | 0 | ||
| 1-nitropyrene [no description available] | 5.81 | 30 | 0 | nitroarene | carcinogenic agent |
| nsc 520594 [no description available] | 3.07 | 1 | 0 | ||
| 2-hydroxy-7-nitrofluorene 2-hydroxy-7-nitrofluorene: structure in first source | 3.07 | 1 | 0 | ||
| 6-nitrochrysene 6-nitrochrysene: RN given refers to cpd with locant for nitro group in position 6 | 3.07 | 1 | 0 | carbopolycyclic compound | |
| 6-nitroindazole [no description available] | 3.07 | 1 | 0 | ||
| 2-nitrofluoranthene [no description available] | 3.07 | 1 | 0 | ||
| 7-nitrobenzanthracene [no description available] | 3.07 | 1 | 0 | phenanthrenes | |
| 3,9-dinitrofluoranthene [no description available] | 3.78 | 3 | 0 | nitronaphthalene | |
| pyrene pyrene: structure in Merck Index, 9th ed, #7746. pyrene : An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. | 1.97 | 1 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
| 2,7-dinitrofluorenone 2,7-dinitrofluorenone: structure given in first source | 3.07 | 1 | 0 | ||
| 1,6-dinitropyrene [no description available] | 6.23 | 46 | 0 | pyrenes | |
| 6-nitrobenzo(a)pyrene [no description available] | 3.07 | 1 | 0 | ortho- and peri-fused polycyclic arene | |
| glu-p-2 Glu-P-2: RN given refers to parent cpd | 3.06 | 1 | 0 | imidazopyridine | |
| 2-amino-6-methyldipyrido(1,2-a-3',2'-d)imidazole 2-amino-6-methyldipyrido(1,2-a-3',2'-d)imidazole: structure | 2.39 | 2 | 0 | imidazopyridine | |
| 1-nitrobenzo(a)pyrene [no description available] | 3.07 | 1 | 0 | ||
| 3-nitrobenzo(a)pyrene [no description available] | 3.07 | 1 | 0 | ||
| 1,3-dinitropyrene [no description available] | 5.93 | 34 | 0 | pyrenes | |
| 2-amino-3-methylimidazo(4,5-f)quinoline 2-amino-3-methylimidazo(4,5-f)quinoline: mutagen found in broiled food; RN given refers to parent cpd; structure given in first source; frequently abbreviated as IQ in the literature. 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine : An imidazoquinoline that is 3H-imidazo[4,5-f]quinoline substituted by a methyl group at position 3 and an amino group at position 2. | 3.48 | 2 | 0 | imidazoquinoline | carcinogenic agent |
| 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5h)-furanone 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone: structure given in first source | 2.07 | 1 | 0 | butenolide | |
| 3,7-dinitrofluoranthene [no description available] | 3.47 | 2 | 0 | nitronaphthalene | |
| 4-nitropyrene [no description available] | 3.07 | 1 | 0 | pyrenes | |
| 2-amino-3,4-dimethylimidazo(4,5-f)quinoline 2-amino-3,4-dimethylimidazo(4,5-f)quinoline: strong mutagens found in broiled food; structure given in first source | 2 | 1 | 0 | aminoquinoline | |
| 2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline 2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline: strong mutagen found in broiled foods; structure given in first source. MeIQx : An imidazoquinoxaline that is 3H-imidazo[4,5-f]quinoxaline substituted at positions 3 and 8 by methyl groups and at position 2 by an amino group. A mutagenic compound found in cooked beef. | 1.98 | 1 | 0 | aromatic amine; imidazoquinoxaline | carcinogenic agent; genotoxin; Maillard reaction product; mutagen |
| 3-nitroperylene 3-nitroperylene: RN given refers to cpd with nitro group in position 3 | 3.07 | 1 | 0 | phenanthrenes | |
| bathocuproine bathocuproine: reagent for copper; RN given refers to parent cpd | 2.02 | 1 | 0 | ||
| 1,7-phenanthroline [no description available] | 2.02 | 1 | 0 | phenanthroline | |
| 1-nitro-2,4-difluorobenzene 1-nitro-2,4-difluorobenzene: standard antigen; structure | 3.07 | 1 | 0 | ||
| 5-nitroisoquinoline [no description available] | 3.07 | 1 | 0 | ||
| 9-nitrophenanthrene 9-nitrophenanthrene: RN given refers to parent cpd; | 3.07 | 1 | 0 | ||
| 5-nitro-1,10-phenanthroline 5-nitro-1,10-phenanthroline: structure in first source | 3.07 | 1 | 0 | ||
| 1-fluoro-2-nitrobenzene 1-fluoro-2-nitrobenzene: structure given in first source | 3.07 | 1 | 0 | ||
| 3,6-dinitrobenzopyrene [no description available] | 2.04 | 1 | 0 | ||
| 2-nitrobenzimidazole 2-nitrobenzimidazole: RN given refers to parent cpd | 3.07 | 1 | 0 | ||
| 1-nitrosopyrene 1-nitrosopyrene: structure given in first source | 1.97 | 1 | 0 | ||
| 1-nitro-8-nitrosopyrene 1-nitro-8-nitrosopyrene: structure given in first source | 2.37 | 2 | 0 | ||
| cholic acid Cholic Acid: A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion.. cholic acid : A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12. | 1.97 | 1 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
| deoxycholic acid Deoxycholic Acid: A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent.. deoxycholic acid : A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively. | 1.97 | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
| ouabain Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. | 2.37 | 2 | 0 | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
| acetyl coenzyme a Acetyl Coenzyme A: Acetyl CoA participates in the biosynthesis of fatty acids and sterols, in the oxidation of fatty acids and in the metabolism of many amino acids. It also acts as a biological acetylating agent. | 1.96 | 1 | 0 | acyl-CoA | acyl donor; coenzyme; effector; fundamental metabolite |
| pectins Pectins: High molecular weight polysaccharides present in the cell walls of all plants. Pectins cement cell walls together. They are used as emulsifiers and stabilizers in the food industry. They have been tried for a variety of therapeutic uses including as antidiarrheals, where they are now generally considered ineffective, and in the treatment of hypercholesterolemia.. alpha-D-galacturonic acid : The alpha-anomer of D-galacturonic acid. | 1.98 | 1 | 0 | D-galactopyranuronic acid | |
| methimazole Methimazole: A thioureylene antithyroid agent that inhibits the formation of thyroid hormones by interfering with the incorporation of iodine into tyrosyl residues of thyroglobulin. This is done by interfering with the oxidation of iodide ion and iodotyrosyl groups through inhibition of the peroxidase enzyme.. methimazole : A member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen. | 1.99 | 1 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
| thioguanine anhydrous Thioguanine: An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia.. tioguanine : A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia. | 2.37 | 2 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
| nadp [no description available] | 2.37 | 2 | 0 | ||
| nitrobenzanthrone 3-nitrobenzanthrone: mutagenic environmental contaminant; structure in first source | 2.01 | 1 | 0 | phenanthrenes | |
| 2,4-dinitrophenylhydrazine 2,4-dinitrophenylhydrazine: structure. 2,4-dinitrophenylhydrazine : A C-nitro compound that is phenylhydrazine substituted at the 2- and 4-positions by nitro groups. | 3.07 | 1 | 0 | C-nitro compound; phenylhydrazines | reagent |
| sodium borohydride sodium borohydride: RN given refers to parent cpd | 1.97 | 1 | 0 | inorganic sodium salt; metal tetrahydridoborate | |
| 2-nitro-4-phenylenediamine 2-nitro-4-phenylenediamine: 2-nitro-1,4-benzenediamine; RN given refers to parent cpd. 2-nitro-p-phenylenediamine : A primary amino compound that is p-phenylenediamine in which one of the hydrogens attached to the benzene ring is replaced by a nitro group. It is a cosmetic hair dye intermediate that is used in permanent hair colouring products (diluted 1:1 with an oxidising agent prior to application). | 3.07 | 1 | 0 | C-nitro compound; primary amino compound | |
| 5-Nitroisatin [no description available] | 3.07 | 1 | 0 | indoles | anticoronaviral agent |
| 2-amino-5-nitrophenol 2-amino-5-nitrophenol: RN & structure given in first source | 3.07 | 1 | 0 | 3-nitrophenols | |
| 1,2-diamino-4-nitrobenzene 1,2-diamino-4-nitrobenzene: reagent for determination of selenium in milk with gas chromatograph. 4-nitro-1,2-phenylenediamine : The primary amino compound that is 1,2-phenylenediamine (o-phenylenediamine) substituted at the 4- (para-) position by a nitro group. | 3.07 | 1 | 0 | C-nitro compound; primary amino compound | |
| vitamin k semiquinone radical vitamin K semiquinone radical: found in active preparations of vitamin K-dependent carboxylase. vitamin K : Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors. | 1.97 | 1 | 0 | ||
| beta carotene beta Carotene: A carotenoid that is a precursor of VITAMIN A. Beta carotene is administered to reduce the severity of photosensitivity reactions in patients with erythropoietic protoporphyria (PORPHYRIA, ERYTHROPOIETIC).. provitamin A : A provitamin that can be converted into vitamin A by enzymes from animal tissues. | 1.99 | 1 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
| 3-amino-1,4-dimethyl-5h-pyrido(4,3-b)indole 3-amino-1,4-dimethyl-5H-pyrido(4,3-b)indole: structure | 1.98 | 1 | 0 | pyridoindole | |
| furazolidone [no description available] | 3.07 | 1 | 0 | ||
| nitrofurazone Nitrofurazone: A topical anti-infective agent effective against gram-negative and gram-positive bacteria. It is used for superficial WOUNDS AND INJURIES and skin infections. Nitrofurazone has also been administered orally in the treatment of TRYPANOSOMIASIS.. nitrofurazone : A semicarbazone resulting from the formal condensation of semicarbazide with 5-nitrofuraldehyde. A broad spectrum antibacterial drug, although with little activity against Pseudomonas species, it is used as a local application for burns, ulcers, wounds and skin infections. | 3.47 | 2 | 0 | ||
| nitrofurantoin Nitrofurantoin: A urinary anti-infective agent effective against most gram-positive and gram-negative organisms. Although sulfonamides and antibiotics are usually the agents of choice for urinary tract infections, nitrofurantoin is widely used for prophylaxis and long-term suppression.. nitrofurantoin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA. | 3.07 | 1 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
| cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 3.08 | 5 | 0 | glycoside | |
| phosphatidylcholines Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety. | 1.97 | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
| heme Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron. | 1.96 | 1 | 0 | ||
| allopurinol Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.. allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. | 1.96 | 1 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
| methylnitronitrosoguanidine Methylnitronitrosoguanidine: A nitrosoguanidine derivative with potent mutagenic and carcinogenic properties.. N-methyl-N'-nitro-N-nitrosoguanidine : An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position | 1.97 | 1 | 0 | nitroso compound | alkylating agent |
| phosphorus radioisotopes Phosphorus Radioisotopes: Unstable isotopes of phosphorus that decay or disintegrate emitting radiation. P atoms with atomic weights 28-34 except 31 are radioactive phosphorus isotopes. | 1.97 | 1 | 0 |
| Condition | Indicated | Relationship Strength | Studies | Trials |
|---|---|---|---|---|
| Hepatocellular Carcinoma [description not available] | 0 | 2.41 | 2 | 0 |
| Carcinoma, Hepatocellular A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested. | 0 | 2.41 | 2 | 0 |
| Abnormalities, Autosome [description not available] | 0 | 3.06 | 5 | 0 |
| EHS Tumor [description not available] | 0 | 1.96 | 1 | 0 |
| Papilloma, Squamous Cell [description not available] | 0 | 1.96 | 1 | 0 |
| Cancer of Skin [description not available] | 0 | 3.28 | 2 | 0 |
| Papilloma A circumscribed benign epithelial tumor projecting from the surrounding surface; more precisely, a benign epithelial neoplasm consisting of villous or arborescent outgrowths of fibrovascular stroma covered by neoplastic cells. (Stedman, 25th ed) | 0 | 1.96 | 1 | 0 |
| Skin Neoplasms Tumors or cancer of the SKIN. | 0 | 3.28 | 2 | 0 |
| Experimental Leukemia [description not available] | 0 | 2.66 | 3 | 0 |
| Leukemia L5178 An experimental lymphocytic leukemia of mice. | 0 | 1.96 | 1 | 0 |
| Chromosome Deletion Actual loss of portion of a chromosome. | 0 | 1.98 | 1 | 0 |
| Colorectal Cancer [description not available] | 0 | 2.39 | 2 | 0 |
| Colorectal Neoplasms Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI. | 0 | 2.39 | 2 | 0 |
| Cancer of Liver [description not available] | 0 | 1.98 | 1 | 0 |
| Liver Neoplasms Tumors or cancer of the LIVER. | 0 | 1.98 | 1 | 0 |
| Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed) | 0 | 2 | 1 | 0 |
| Alcoholic Intoxication An acute brain syndrome which results from the excessive ingestion of ETHANOL or ALCOHOLIC BEVERAGES. | 0 | 1.98 | 1 | 0 |
| Adenocarcinoma, Basal Cell [description not available] | 0 | 1.97 | 1 | 0 |
| Angioma, Sclerosing [description not available] | 0 | 2.66 | 3 | 0 |
| Adenofibroma A benign neoplasm composed of glandular and fibrous tissues, with a relatively large proportion of glands. (Stedman, 25th ed) | 0 | 1.97 | 1 | 0 |
| Experimental Mammary Neoplasms [description not available] | 0 | 3.8 | 4 | 0 |
| Adenocarcinoma A malignant epithelial tumor with a glandular organization. | 0 | 1.97 | 1 | 0 |
| Histiocytoma, Benign Fibrous A benign tumor composed, wholly or in part, of cells with the morphologic characteristics of HISTIOCYTES and with various fibroblastic components. Fibrous histiocytomas can occur anywhere in the body. When they occur in the skin, they are called dermatofibromas or sclerosing hemangiomas. (From DeVita Jr et al., Cancer: Principles & Practice of Oncology, 5th ed, p1747) | 0 | 2.66 | 3 | 0 |
| Experimental Neoplasms [description not available] | 0 | 4.86 | 8 | 0 |
| Leucocythaemia [description not available] | 0 | 1.97 | 1 | 0 |
| Animal Mammary Carcinoma [description not available] | 0 | 1.97 | 1 | 0 |
| Leukemia A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006) | 0 | 1.97 | 1 | 0 |
| Cell Transformation, Neoplastic Cell changes manifested by escape from control mechanisms, increased growth potential, alterations in the cell surface, karyotypic abnormalities, morphological and biochemical deviations from the norm, and other attributes conferring the ability to invade, metastasize, and kill. | 0 | 1.96 | 1 | 0 |
| Fibrosarcoma A sarcoma derived from deep fibrous tissue, characterized by bundles of immature proliferating fibroblasts with variable collagen formation, which tends to invade locally and metastasize by the bloodstream. (Stedman, 25th ed) | 0 | 3.57 | 3 | 0 |
| Cancer of Intestines [description not available] | 0 | 2.88 | 1 | 0 |
| Experimental Hepatoma [description not available] | 0 | 2.88 | 1 | 0 |
| Cancer of the Thymus [description not available] | 0 | 2.88 | 1 | 0 |
| Intestinal Neoplasms Tumors or cancer of the INTESTINES. | 0 | 2.88 | 1 | 0 |
| Thymus Neoplasms Tumors or cancer of the THYMUS GLAND. | 0 | 2.88 | 1 | 0 |
| Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms. | 0 | 1.96 | 1 | 0 |
| Cancer of the Vulva [description not available] | 0 | 1.96 | 1 | 0 |
| Vulvar Neoplasms Tumors or cancer of the VULVA. | 0 | 1.96 | 1 | 0 |