Page last updated: 2024-12-05
4-methyl-3-nitrobenzoic acid
Description
Research Excerpts
Clinical Trials
Roles
Classes
Pathways
Study Profile
Bioassays
Related Drugs
Related Conditions
Protein Interactions
Research Growth
Market Indicators
Description
4-Methyl-3-nitrobenzoic acid is a white crystalline solid with the molecular formula C8H7NO4. It is a derivative of benzoic acid with a methyl group at the 4-position and a nitro group at the 3-position. This compound is not widely studied and there is limited information available about its synthesis, effects, and importance. The compound's properties likely derive from the combination of the methyl and nitro substituents on the benzoic acid scaffold, potentially influencing its reactivity, acidity, and biological activity. Further research is needed to fully understand its characteristics and potential applications.'
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4-methyl-3-nitrobenzoic acid: a migration inhibitor, prevents breast cancer metastasis in SCID mice [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
Cross-References
| ID Source | ID |
|---|---|
| PubMed CID | 7319 |
| CHEMBL ID | 1488599 |
| SCHEMBL ID | 177231 |
| MeSH ID | M0557966 |
Synonyms (53)
| Synonym |
|---|
| smr001224501 |
| MLS002152889 |
| 4-methyl-3-nitrobenzoic acid |
| 96-98-0 |
| p-toluic acid, 3-nitro- |
| nsc-50659 |
| benzoic acid, 4-methyl-3-nitro- |
| nsc50659 |
| 3-nitro-para-toluic acid |
| 3-nitro-4-methylbenzoic acid |
| OPREA1_315455 |
| 4-methyl-3-nitro benzoic acid |
| NCGC00091412-01 |
| 3-nitro-p-toluic acid |
| nsc 50659 |
| m-nitro-p-toluic acid |
| einecs 202-549-3 |
| STK358776 |
| 4-methyl-3-nitrobenzoic acid, 99% |
| M-4217 |
| AC-3037 |
| bbewsmnrcuxqrf-uhfffaoysa- |
| inchi=1/c8h7no4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4h,1h3,(h,10,11) |
| M0950 |
| AKOS000120551 |
| NCGC00091412-02 |
| ec 202-549-3 |
| 4svo2c6kj2 , |
| unii-4svo2c6kj2 |
| 4-methyl-3-nitrobenzoicacid |
| HMS3039P06 |
| dtxsid6025642 , |
| dtxcid705642 |
| NCGC00258622-01 |
| tox21_201069 |
| cas-96-98-0 |
| AE-562/40723402 |
| FT-0619037 |
| AM20060762 |
| 4-methyl-3-nitro-benzoic acid |
| 3-nitro-4-methyl benzoic acid |
| CHEMBL1488599 |
| AKOS023769640 |
| SCHEMBL177231 |
| mfcd00007174 |
| F3095-3211 |
| CS-0039942 |
| BCP24478 |
| methyl-3-nitrobenzoic acid, 4- |
| AS-11011 |
| EN300-17977 |
| HY-W021293 |
| Z57127401 |
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
Protein Targets (9)
Potency Measurements
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| AR protein | Homo sapiens (human) | Potency | 60.8236 | 0.0002 | 21.2231 | 8,912.5098 | AID743036 |
| thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 15.8489 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
| estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 27.1689 | 0.0002 | 29.3054 | 16,493.5996 | AID743075 |
| chromobox protein homolog 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
| thyroid hormone receptor beta isoform a | Homo sapiens (human) | Potency | 0.0028 | 0.0100 | 39.5371 | 1,122.0200 | AID588545 |
| geminin | Homo sapiens (human) | Potency | 0.0052 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
| lethal factor (plasmid) | Bacillus anthracis str. A2012 | Potency | 12.5893 | 0.0200 | 10.7869 | 31.6228 | AID912 |
| Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 125.8920 | 6.3096 | 60.2008 | 112.2020 | AID720707 |
| Nuclear receptor ROR-gamma | Homo sapiens (human) | Potency | 11.8832 | 0.0266 | 22.4482 | 66.8242 | AID651802 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
Biological Processes (33)
Molecular Functions (13)
Ceullar Components (12)
Bioassays (13)
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
Research
Studies (6)
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 1 (16.67) | 29.6817 |
| 2010's | 4 (66.67) | 24.3611 |
| 2020's | 1 (16.67) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
Market Indicators
Research Demand Index: 30.28
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 (30.28) All Compounds (24.57) |
Study Types
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 7 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||