CAY10739

CAY10739 is a soft-drug agonist of the sphingosine-1-phosphate receptor 1 (S1P1, IC50 = 25.12 nM in a beta-arrestin recruitment assay) that was designed to prevent systemic effects following topical application. It is selective for S1P1 over S1P2, S1P3, and S1P4 (IC50s = 1,000, >10,000, >10,000 nM, respectively, in a beta-arrestin recruitment assay). In human S9 skin subcellular fractions, an ester group that protects an unstable phenol group is cleaved to release the active soft drug. The active soft drug and its nonenzymatically formed isomers are rapidly metabolized in isolated human hepatocytes.Formal Name: (2Z,5Z)-5-[[4-(acetyloxy)-3-methylphenyl]methylene]-3-(2-methylphenyl)-2-(propylimino)-4-thiazolidinone. CAS Number: 2328109-05-1. Molecular Formula: C23H24N2O3S. Formula Weight: 408.5. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 10 mg/ml, DMF:PBS (pH 7.2) (1:2): 0.3 mg/ml, DMSO: 5 mg/ml, Ethanol: 0.3 mg/ml. lambdamax: 333 nm. SMILES: CC1=CC(/C=C2S/C(N(C3=C(C)C=CC=C3)C\2=O)=N\CCC)=CC=C1OC(C)=O. InChi Code: InChI=1S/C23H24N2O3S/c1-5-12-24-23-25(19-9-7-6-8-15(19)2)22(27)21(29-23)14-18-10-11-20(16(3)13-18)28-17(4)26/h6-11,13-14H,5,12H2,1-4H3/b21-14-,24-23-. InChi Key: KZNIDEPMBGHFQK-PZUCIDFCSA-N.