CID-2745687

GPR35 is a G protein-coupled receptor that is activated by kynurenic acid and 2-acyl lysophosphatidic acids (e.g., 2-oleoyl lysophosphatidic acid). It is expressed predominantly on immune cells, the brain, and in the gastrointestinal tract. GPR35 is overexpressed in gastric cancer cells. CID-2745687 is a reversible, competitive antagonist of GPR35, blocking activation by the synthetic agonist pamoic acid with a Ki value of 12.8 nM. It less potently blocks activation of GPR35 by zaprinast (Cay-10010421) (IC50 = 160 nM). It shows ~57-fold selectivity for GPR35 over the related receptor GPR55 (IC50 = 9.08 µM).Formal Name: 1-(2,4-difluorophenyl)-5-[[2-[[(1,1-dimethylethyl)amino]thioxomethyl]hydrazinylidene]methyl]-1H-pyrazole-4-carboxylic acid, methyl ester. CAS Number: 264233-05-8. Synonyms: ML-194. Molecular Formula: C17H19F2N5O2S. Formula Weight: 395.4. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMSO: 10 mg/ml. lambdamax: 242, 338 nm. SMILES: O=C(OC)C1=C(/C=N/NC(NC(C)(C)C)=S)N(C2=CC=C(F)C=C2F)N=C1. InChi Code: InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)/b20-9+. InChi Key: CYNLZIBKERMMOA-AWQFTUOYSA-N.