beta-Secretase Inhibitor IV

beta-Secretase inhibitor IV is an inhibitor of beta-site amyloid protein cleaving enzymes (BACE/beta-secretase) 1 and 2 (IC50s = 15 and 230 nM for human BACE1 and 2, respectively). It has >500-fold selectivity for BACE1 and 2 over the aspartyl proteases renin and cathepsin D. beta-Secretase inhibitor IV inhibits secretion of amyloid-beta (Abeta) precursor protein (APP, IC50 = 29 nM) in HEK293T cells transfected with a truncated APP. It also inhibits formation of the Abeta peptides Abeta38, Abeta40, and Abeta42 in primary chick neurons (IC50s = 3.7, 4.7, and 4.8 nM, respectively).Formal Name: N1-[(1S,2R)-3-(cyclopropylamino)-2-hydroxy-1-(phenylmethyl)propyl]-5-[methyl(methylsulfonyl)amino]-N3-[(1R)-1-phenylethyl]-1,3-benzenedicarboxamide. CAS Number: 797035-11-1. Molecular Formula: C31H38N4O5S. Formula Weight: 578.7. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 20 mg/ml, DMSO: 20 mg/ml, Ethanol: 10 mg/ml. lambdamax: 204 nm. SMILES: CN(S(C)(=O)=O)C1=CC(C(N[C@H](C)C2=CC=CC=C2)=O)=CC(C(N[C@@H](CC3=CC=CC=C3)[C@H](O)CNC4CC4)=O)=C1. InChi Code: InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1. InChi Key: VPNIQGRFZCTBEZ-SPTGULJVSA-N.