Setipiprant

Setipiprant is an orally bioavailable antagonist of the prostaglandin D2 (PGD2, Cay-12010) receptor CRTH2/DP2 (IC50 = 6 nM for the human receptor). It is selective for CRTH2/DP2 over DP1 in a radioligand binding assay (IC50 = 1,290 nM) and the prostaglandin E2 (PGE2, Cay-14010) receptor subtypes EP2 and EP4 in a beta-arrestin assay (IC50s = 2,600 and >10,000 nM, respectively). Setipiprant inhibits PGD2-induced calcium flux in HEK293 cells expressing human CRTH2/DP2 (IC50 = 30 nM) and PGD2-induced shape change in human eosinophils (IC50 = 235 nM).Formal Name: 8-fluoro-1,2,3,4-tetrahydro-2-(1-naphthalenylcarbonyl)-5H-pyrido[4,3-b]indole-5-acetic acid. CAS Number: 866460-33-5. Synonyms: ACT-129968. Molecular Formula: C24H19FN2O3. Formula Weight: 402.4. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMF: 50 mg/ml, DMF:PBS (pH 7.2) (1:1): 0.5 mg/ml, DMSO: 30 mg/ml, Ethanol: 3 mg/ml. lambdamax: 224, 283 nm. SMILES: O=C(C1=CC=CC2=C1C=CC=C2)N3CC4=C(N(CC(O)=O)C5=C4C=C(F)C=C5)CC3. InChi Code: InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29). InChi Key: IHAXLPDVOWLUOS-UHFFFAOYSA-N.