CHEBI:195599 - CH-223191

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ChEBI Name CH-223191 ChEBI ID CHEBI:195599 Definition A secondary carboxamide resulting from the formal condensation of the carboxy group of 1-methyl-1H-pyrazole-5-carboxylic acid with the amino group of 2-methyl-4-[(2-methylphenyl)diazenyl]aniline. It is a potent aryl hydrocarbon receptor (AhR) antagonist (IC50 = 30 nM). Stars This entity has been manually annotated by the ChEBI Team. Submitter Stan Laulederkind Secondary ChEBI IDs CHEBI:125508 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H19N5O Net Charge 0 Average Mass 333.395 Monoisotopic Mass 333.15896 InChI InChI=1S/C19H19N5O/c1-13-6-4-5-7-17(13)23-22-15-8-9-16(14(2)12-15)21-19(25)18-10-11-20-24(18)3/h4-12H,1-3H3,(H,21,25) InChIKey LKTNEXPODAWWFM-UHFFFAOYSA-N SMILES CN1N=CC=C1C(=O)NC1=CC=C(C=C1C)N=NC1=C(C)C=CC=C1 Roles Classification Biological Role(s): aryl hydrocarbon receptor antagonist An antagonist that binds to and activates aryl hydrocarbon receptors (AhRs). View more via ChEBI Ontology ChEBI Ontology Outgoing CH-223191 (CHEBI:195599) has functional parent 1-methyl-pyrazole-5-carboxylic acid (CHEBI:74737) CH-223191 (CHEBI:195599) has role aryl hydrocarbon receptor antagonist (CHEBI:76998) CH-223191 (CHEBI:195599) is a aromatic amide (CHEBI:62733) CH-223191 (CHEBI:195599) is a monoazo compound (CHEBI:48959) CH-223191 (CHEBI:195599) is a pyrazoles (CHEBI:26410) CH-223191 (CHEBI:195599) is a secondary carboxamide (CHEBI:140325) CH-223191 (CHEBI:195599) is a toluenes (CHEBI:27024) IUPAC Name 1-methyl-N-{2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}-1H-pyrazole-5-carboxamide Synonyms Sources 2-methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazo-phenyl)-amide ChEBI 2-methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazophenyl)amide SUBMITTER 2-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]pyrazole-3-carboxamide ChEBI CH 223191 ChEBI CH223191 ChEBI Manual Xref Database LSM-37014 LINCS View more database links Registry Number Type Source 301326-22-7 CAS Registry Number SUBMITTER Citations Types Sources 16540597 PubMed citation Europe PMC 20634293 PubMed citation Europe PMC 21967751 PubMed citation Europe PMC 30793600 PubMed citation Europe PMC 30987575 PubMed citation Europe PMC 31358358 PubMed citation Europe PMC 32416216 PubMed citation SUBMITTER 35371054 PubMed citation Europe PMC 35687264 PubMed citation Europe PMC 35721314 PubMed citation Europe PMC 35788946 PubMed citation SUBMITTER 37322333 PubMed citation Europe PMC 37352327 PubMed citation Europe PMC 37373144 PubMed citation Europe PMC 37539825 PubMed citation Europe PMC Last Modified 25 August 2023