PF-543 (hydrochloride)

PF-543 is a potent inhibitor of sphingosine kinase 1 (SPHK1, IC50 = 2 nM) that inhibits sphingosine-1-phosphate (S1P) binding to human recombinant SPHK1 (Ki = 3.6 nM). It is selective for SPHK1 over SPHK2 (IC50 = 356 nM) as well as a panel of protein and lipid kinases and S1P receptors at a concentration of 10 µM. PF-543 inhibits the formation of S1P in 1483 cells and human whole blood (EC50s = 8.4 and 26.7 nM, respectively). In vivo, PF-543 prevents sickling, hemolysis, and inflammation in a transgenic mouse model of sickle cell disease.Formal Name: 1-[[4-[[3-methyl-5-[(phenylsulfonyl)methyl]phenoxy]methyl]phenyl]methyl]-2R-pyrrolidinemethanol, monohydrochloride. CAS Number: 1706522-79-3. Molecular Formula: C27H31NO4S . HCl. Formula Weight: 502.1. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 25 mg/ml, DMSO: 25 mg/ml, Ethanol: 25 mg/ml. SMILES: O=S(C1=CC=CC=C1)(CC2=CC(OCC3=CC=C(CN4[C@@H](CO)CCC4)C=C3)=CC(C)=C2)=O.Cl. InChi Code: InChI=1S/C27H31NO4S.ClH/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29,/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3,1H/t25-,/m1./s1. InChi Key: WNKWAZFYPZMDGJ-VQIWEWKSSA-N.