ML-145

ML-145 is an antagonist of G protein-coupled receptor 35 (GPR35). It inhibits beta-arrestin recruitment induced by the GPR35 agonists zaprinast (Cay-10010421), cromolyn (Cay-21379), and pamoic acid (Cay-13946) in HEK293 cells expressing the human receptor (EC50s = 26, 22, and 8.3 nM, respectively). ML-145 inhibits constitutive and agonist-mediated D-myo-inositol-1-phosphate (IP1) accumulation in cells expressing human, but not rat, GPR35 in a concentration-dependent manner.Formal Name: 2-hydroxy-4-[[4-[(5Z)-5-[(2E)-2-methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]-benzoic acid. CAS Number: 1164500-72-4. Molecular Formula: C24H22N2O5S2. Formula Weight: 482.6. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMSO: 50 mg/ml, sonicated. SMILES: OC(C=C1NC(CCCN2C(S/C(C2=O)=C\C(C)=C\C3=CC=CC=C3)=S)=O)=C(C=C1)C(O)=O. InChi Code: InChI=1S/C24H22N2O5S2/c1-15(12-16-6-3-2-4-7-16)13-20-22(29)26(24(32)33-20)11-5-8-21(28)25-17-9-10-18(23(30)31)19(27)14-17/h2-4,6-7,9-10,12-14,27H,5,8,11H2,1H3,(H,25,28)(H,30,31)/b15-12+,20-13-. InChi Key: COFMYJWNXSFLKQ-QIROLCGISA-N.