Compounds > 1,3-dinitropyrene
Page last updated: 2024-09-23

1,3-dinitropyrene

Cross-References

ID SourceID
PubMed CID53230
CHEMBL ID354669
CHEBI ID82456
SCHEMBL ID3293306
MeSH IDM0113262

Synonyms (20)

Synonym
1,3-dinitropyrene
pyrene, 1,3-dinitro-
brn 5292115
ccris 3381
1,3-dinitropyrene, 99%
CHEMBL354669
1,3-dinitro-pyrene
chebi:82456 ,
C19408
75321-20-9
d09d9l0924 ,
unii-d09d9l0924
AKOS015913367
SCHEMBL3293306
dinitropyrene, 1,3-
1,3-dinitropyrene [iarc]
DTXSID5074975
pyrene, 1,3-dinitro-; 1,3-dinitropyrene
1,3-dinitropyrene 100 microg/ml in toluene
Q27155954

Drug Classes (1)

ClassDescription
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]

Bioassays (2)

Assay IDTitleYearJournalArticle
AID23442Partition coefficient (logP)1991Journal 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.
AID200690Mutagenic activity in an Ames test on Salmonella Typhimurium TA98; Activity is log of revertants/nmol1991Journal 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]

Research

Studies (42)

TimeframeStudies, This Drug (%)All Drugs %
pre-199019 (45.24)18.7374
1990's17 (40.48)18.2507
2000's6 (14.29)29.6817
2010's0 (0.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews2 (4.76%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other40 (95.24%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
dinitrochlorobenzene[no description available]medium10C-nitro compound;
monochlorobenzenes		allergen;
epitope;
sensitiser
4-nitrobenzaldehyde[no description available]medium10benzaldehydes;
C-nitro compound
7-nitroindazole[no description available]medium10
metronidazole[no description available]medium10C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
niridazole[no description available]medium101,3-thiazoles;
C-nitro compound
dinitrofluorobenzene[no description available]medium10C-nitro compound;
organofluorine compound		agrochemical;
allergen;
chromatographic reagent;
EC 2.7.3.2 (creatine kinase) inhibitor;
protein-sequencing agent;
spectrophotometric reagent
1-nitronaphthalene[no description available]medium10mononitronaphthaleneenvironmental contaminant;
mouse metabolite
1-chloro-2-nitrobenzene[no description available]medium10C-nitro compound;
monochlorobenzenes
2,5-dichloronitrobenzene[no description available]medium10
2-nitroanisole[no description available]medium102-nitroanisolescarcinogenic agent
4-nitrobiphenyl[no description available]medium10biphenyls
2,4-dinitroaniline[no description available]medium10nitroaniline
nitrobenzene[no description available]medium10nitroarene;
nitrobenzenes
1,2-dichloro-4-nitrobenzene[no description available]medium10
3-dinitrobenzene[no description available]medium10dinitrobenzeneneurotoxin
4-chloronitrobenzene[no description available]medium10C-nitro compound
4-nitroanisole[no description available]medium104-nitroanisoles
4-nitroacetophenone[no description available]medium10acetophenones;
C-nitro compound
1,4-dinitrobenzene[no description available]medium10dinitrobenzene
2,4-dinitroanisole[no description available]medium10dinitroanisolesexplosive
2,4,7-trinitrofluorenone[no description available]medium10
1,2-dinitrobenzene[no description available]medium10dinitrobenzene
2-nitrobenzaldehyde[no description available]medium10benzaldehydes;
C-nitro compound
2-nitronaphthalene[no description available]medium10mononitronaphthalene
9-nitroanthracene[no description available]medium10anthracenes
5-nitroacenaphthene[no description available]medium10nitronaphthalene
erythropoietin[no description available]medium10dinitronaphthalenegenotoxin
1,3-dinitronaphthalene[no description available]medium10dinitronaphthalene
5-nitroquinoline[no description available]medium10
2-nitrofluorene[no description available]medium10nitroarenecarcinogenic agent;
mutagen
2,4-dichloro-1-nitrobenzene[no description available]medium10
5-nitro-2-furaldehyde[no description available]medium10C-nitro compound;
furans
2-nitropyrene[no description available]medium10pyrenes
3-nitrofluoranthene[no description available]medium20nitronaphthalene
2-amino-7-nitrofluorene[no description available]medium10
2-bromo-4,6-dinitroaniline[no description available]medium10
5-nitroindazole[no description available]medium10
2,7-dinitrofluorene[no description available]medium10
1-nitropyrene[no description available]medium200nitroarenecarcinogenic agent
nsc 520594[no description available]medium10
2-hydroxy-7-nitrofluorene[no description available]medium10
6-nitrochrysene[no description available]medium20carbopolycyclic compound
6-nitroindazole[no description available]medium10
2-nitrofluoranthene[no description available]medium10
7-nitrobenzanthracene[no description available]medium20phenanthrenes
3,9-dinitrofluoranthene[no description available]medium20nitronaphthalene
2,7-dinitrofluorenone[no description available]medium10
1,6-dinitropyrene[no description available]medium330pyrenes
1,8-dinitropyrene[no description available]medium340pyrenes
6-nitrobenzo(a)pyrene[no description available]medium10ortho- and peri-fused polycyclic arene
1-nitrobenzo(a)pyrene[no description available]medium20
3-nitrobenzo(a)pyrene[no description available]medium20
3,7-dinitrofluoranthene[no description available]medium20nitronaphthalene
4-nitropyrene[no description available]medium10pyrenes
3-nitroperylene[no description available]medium10phenanthrenes
1-nitro-2,4-difluorobenzene[no description available]medium10
5-nitroisoquinoline[no description available]medium10
9-nitrophenanthrene[no description available]medium10
5-nitro-1,10-phenanthroline[no description available]medium10
1-fluoro-2-nitrobenzene[no description available]medium10
2-nitrobenzimidazole[no description available]medium10
2,4-dinitrophenylhydrazine[no description available]medium10C-nitro compound;
phenylhydrazines		reagent
2-nitro-4-phenylenediamine[no description available]medium10C-nitro compound;
primary amino compound
5-Nitroisatin[no description available]medium10indolesanticoronaviral agent
2-amino-5-nitrophenol[no description available]medium103-nitrophenols
1,2-diamino-4-nitrobenzene[no description available]medium10C-nitro compound;
primary amino compound
furazolidone[no description available]medium10
nitrofurazone[no description available]medium10
nitrofurantoin[no description available]medium10imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
nitrobenzanthrone[no description available]medium10phenanthrenes
2,4-dinitrophenol[no description available]medium10dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
1,n(6)-ethenodeoxyadenosine[no description available]medium10purines
heme[no description available]medium10
ouabain[no description available]medium2011alpha-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
toluene[no description available]medium10methylbenzene;
toluenes;
volatile organic compound		cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
nitrophenols[no description available]medium10
methylnitronitrosoguanidine[no description available]medium10nitroso compoundalkylating agent
vitamin k semiquinone radical[no description available]medium20
2-iodosobenzoic acid[no description available]medium10benzoic acids;
organoiodine compound		EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor
nitric acid[no description available]medium10nitrogen oxoacidprotic solvent;
reagent
nitrates[no description available]medium10monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
acetyl coenzyme a[no description available]medium20acyl-CoAacyl donor;
coenzyme;
effector;
fundamental metabolite
1-nitro-8-nitrosopyrene[no description available]medium10
phosphorus radioisotopes[no description available]medium10
nadp[no description available]medium10
benzo(a)pyrene[no description available]medium10ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite
indeno(1,2,3-cd)pyrene[no description available]low00pyrenes
1,6-pyrenequinone[no description available]low00pyrenes
1,8-pyrenequinone[no description available]low00pyrenes
1-methylpyrene[no description available]low00pyrenes
1-hydroxypyrene[no description available]low00pyrenes
benzo(a)pyrene 7,8-dihydrodiol[no description available]low00pyrenes
cyclopenta(c,d)pyrene[no description available]low00pyrenes
benzo(a)pyrene 7,8-oxide[no description available]low00pyrenes
benzo(a)pyrene-7,8-dione[no description available]low00orthoquinones;
pyrenes		genotoxin;
xenobiotic metabolite
2-(2-pyrenyl)acetonitrile[no description available]low00pyrenes
ConditionIndicatedRelationship StrengthStudiesTrials
Abnormalities, Autosome0low10
Abnormalities, Chromosomal0low10
Abnormalities, Chromosome0low10
Adenocarcinoma0low10
Adenocarcinoma, Basal Cell0low10
Adenocarcinoma, Granular Cell0low10
Adenocarcinoma, Oxyphilic0low10
Adenocarcinoma, Tubular0low10
Adenofibroma0low10
Adenoma, Malignant0low10
Alcoholic Intoxication0low10
Angioma, Sclerosing0low30
Animal Mammary Carcinoma0low10
Autosome Abnormalities0low10
Benign Fibrous Histiocytoma0low30
Body Weight0low10
Cancer of Liver0low10
Cancer of Skin0low10
Cancer of the Liver0low10
Cancer of the Skin0low10
Cancer of the Vulva0low10
Cancer of Vulva0low10
Cancer, Hepatocellular0low10
Carcinoma, Cribriform0low10
Carcinoma, Granular Cell0low10
Carcinoma, Hepatocellular0low20
Carcinoma, Tubular0low10
Chromosomal Aberrations0low10
Chromosome Aberrations0low10
Chromosome Abnormalities0low10
Chromosome Deletion0low10
Cytogenetic Aberrations0low10
Cytogenetic Abnormalities0low10
Dermatofibroma0low30
Drunkenness0low10
EHS Tumor0low10
Experimental Hepatoma0low10
Experimental Hepatomas0low10
Experimental Leukemia0low20
Experimental Leukemias0low20
Experimental Liver Neoplasms0low10
Experimental Mammary Neoplasms0low30
Experimental Neoplasms0low60
Experimental Sarcoma0low10
Experimental Sarcomas0low10
Fibroadenosis0low10
Hemangioma, Sclerosing0low30
Hepatic Cancer0low10
Hepatic Neoplasms0low10
Hepatocellular Cancer0low10
Hepatocellular Carcinoma0low20
Hepatoma0low20
Hepatoma, Experimental0low10
Hepatoma, Morris0low10
Hepatoma, Novikoff0low10
Hepatomas, Experimental0low10
Histiocytoma, Benign Fibrous0low30
Histiocytoma, Cutaneous0low30
Histiocytoma, Fibrous0low30
Intoxication, Alcoholic0low10
Leucocythaemia0low10
Leucocythemia0low10
Leukemia0low10
Leukemia Model, Animal0low20
Leukemia, Experimental0low20
Leukemias, Experimental0low20
Liver Cancer0low10
Liver Cancer, Adult0low20
Liver Cell Carcinoma0low20
Liver Cell Carcinoma, Adult0low20
Liver Neoplasms0low10
Liver Neoplasms, Experimental0low10
Mammary Carcinoma, Animal0low10
Mammary Neoplasms0low10
Mammary Neoplasms, Animal0low10
Mammary Neoplasms, Experimental0low30
Monosomy, Partial0low10
Neoplasms, Experimental0low60
Neoplasms, Experimental Liver0low10
Neoplasms, Experimental Mammary0low30
Neoplasms, Hepatic0low10
Neoplasms, Liver0low10
Neoplasms, Mammary0low10
Neoplasms, Skin0low10
Neoplasms, Vulvar0low10
Papilloma0low10
Papilloma, Squamous Cell0low10
Papillomatosis0low10
Partial Monosomy0low10
Sarcoma, Engelbreth-Holm-Swarm0low10
Sarcoma, Experimental0low10
Sarcoma, Jensen0low10
Sarcomas, Experimental0low10
Sensitivity and Specificity0low20
Skin Cancer0low10
Skin Neoplasms0low10
Vulva Cancer0low10
Vulva Neoplasms0low10
Vulvar Cancer0low10
Vulvar Neoplasms0low10

Research Highlights

Safety/Toxicity (1)

ArticleYear
Toxicity of monocyclic and polycyclic nitroaromatic compounds in a panel of mammalian test cell lines.
Toxicology letters, Volume: 72, Issue: 1-3		1994
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (1)

ArticleYear
Inhibition of dinitropyrene mutagenicity in vitro and in vivo using Salmonella typhimurium and the intrasanguinous host-mediated assay.
Mutation research, Volume: 253, Issue: 2		1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]