3,4-dimethylaniline : A primary arylamine that is aniline in which the hydrogens at the 3- and 4-positions are replaced by methyl groups. A low-melting, crystalline solid, it is used in the production of vitamin B2, dyes, pesticides and other chemicals. [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]
| ID Source | ID |
|---|---|
| PubMed CID | 7248 |
| CHEMBL ID | 1230039 |
| CHEBI ID | 39901 |
| SCHEMBL ID | 33278 |
| MeSH ID | M0070450 |
| Synonym |
|---|
| CHEBI:39901 , |
| BIDD:GT0847 |
| CHEMBL1230039 |
| (3,4-dimethyl-phenyl)-amine |
| benzenamine,4-dimethyl- |
| 4-amino-1,2-dimethylbenzene |
| 1-amino-3,4-dimethylbenzene |
| nsc-7099 |
| 3,4-dimethylaniline |
| 3,4-xylidine |
| nsc7099 |
| 95-64-7 |
| 3,4-dimethylaminobenzene |
| 4-amino-o-xylene |
| wln: zr c1 d1 |
| 3,4-xylylamine |
| nsc41800 |
| nsc-41800 |
| inchi=1/c8h11n/c1-6-3-4-8(9)5-7(6)2/h3-5h,9h2,1-2h |
| benzenamine, 3,4-dimethyl- |
| 34A , |
| NCGC00091393-01 |
| ccris 4741 |
| benzene, 4-amino-1,2-dimethyl- |
| einecs 202-437-4 |
| hsdb 2095 |
| ai3-22779 |
| nsc 41800 |
| brn 0507414 |
| aniline, 3,4-dimethyl |
| DB03018 |
| 3,4-dimethylbenzenamine |
| 3,4-dimethylbenzeneamine |
| 3,4-dimethylphenylamine |
| 3,4-dimethylbenzene-1-amine |
| 3,4-dimethylaniline, 98% |
| 3506D145-E251-4BEA-B1C2-57DE580CBCA1 |
| AC-10833 |
| aniline, 3,4-dimethyl- |
| D0670 |
| smr001307311 |
| MLS002302996 |
| AKOS000119113 |
| NCGC00091393-02 |
| HMS3039N06 |
| dtxcid406308 |
| cas-95-64-7 |
| tox21_200058 |
| dtxsid3026308 , |
| NCGC00257612-01 |
| STL169144 |
| r27i33aidt , |
| unii-r27i33aidt |
| ec 202-437-4 |
| 4-12-00-02502 (beilstein handbook reference) |
| FT-0614365 |
| PS-4095 |
| xylidine 3,4-dimethylbenzenamine [mi] |
| xylidine 3,4-dimethylbenzenamine |
| 3,4-xylidine [hsdb] |
| xylidine, 3,4- |
| 3-ethyl-4-hydroxy-pyrido[1,2-a]pyrimidin-2-one |
| SCHEMBL33278 |
| 3,4-dimetylaniline |
| 3,4-dimethyl aniline |
| (3,4-dimethylphenyl)amine |
| 3,4-dimethyl-phenylamine |
| W-100161 |
| STR00577 |
| F2190-0465 |
| mfcd00007810 |
| Q4634078 |
| EN300-19070 |
| PD007454 |
| Z104472552 |
| Class | Description |
|---|---|
| dimethylaniline | A methylaniline carrying at least two methyl groups. |
| primary arylamine | A primary amine formally derived from ammonia by replacing one hydrogen atom by an aryl group. R-NH2 where R is an aryl group. |
| [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] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 100.0000 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
| pregnane X receptor | Rattus norvegicus (Norway rat) | Potency | 50.1187 | 0.0251 | 27.9203 | 501.1870 | AID651751 |
| RAR-related orphan receptor gamma | Mus musculus (house mouse) | Potency | 10.3328 | 0.0060 | 38.0041 | 19,952.5996 | AID1159521; AID1159523 |
| AR protein | Homo sapiens (human) | Potency | 19.9526 | 0.0002 | 21.2231 | 8,912.5098 | AID588515 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 35.4813 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| nuclear receptor subfamily 1, group I, member 3 | Homo sapiens (human) | Potency | 5.4812 | 0.0010 | 22.6508 | 76.6163 | AID1224838; AID1224839; AID1224893 |
| retinoic acid nuclear receptor alpha variant 1 | Homo sapiens (human) | Potency | 24.9578 | 0.0030 | 41.6115 | 22,387.1992 | AID1159552; AID1159553; AID1159555 |
| estrogen-related nuclear receptor alpha | Homo sapiens (human) | Potency | 3.5805 | 0.0015 | 30.6073 | 15,848.9004 | AID1224841; AID1224842; AID1224848; AID1224849; AID1259401; AID1259403 |
| pregnane X nuclear receptor | Homo sapiens (human) | Potency | 48.9530 | 0.0054 | 28.0263 | 1,258.9301 | AID1346982 |
| estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 24.5318 | 0.0002 | 29.3054 | 16,493.5996 | AID743075; AID743079 |
| aryl hydrocarbon receptor | Homo sapiens (human) | Potency | 55.2906 | 0.0007 | 23.0674 | 1,258.9301 | AID743085; AID743122 |
| cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a | Homo sapiens (human) | Potency | 61.6282 | 0.0017 | 23.8393 | 78.1014 | AID743083 |
| nuclear factor erythroid 2-related factor 2 isoform 1 | Homo sapiens (human) | Potency | 74.9780 | 0.0006 | 27.2152 | 1,122.0200 | AID651741 |
| geminin | Homo sapiens (human) | Potency | 2.0596 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
| Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 89.1251 | 6.3096 | 60.2008 | 112.2020 | AID720707 |
| Nuclear receptor ROR-gamma | Homo sapiens (human) | Potency | 37.5780 | 0.0266 | 22.4482 | 66.8242 | AID651802 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| 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. |
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| 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. |
| 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. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 2 (20.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 2 (20.00) | 29.6817 |
| 2010's | 5 (50.00) | 24.3611 |
| 2020's | 1 (10.00) | 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 (21.14) All Compounds (24.57) |
| 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 | 10 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||