Name: β-Secretase Inhibitor IV
Rating: 5 (10 reviews)

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HIT ID:HIT212672286
Cas No:797035-11-1
常用名:β-Secretase Inhibitor IV
IUPAC:N1-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-N3-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
IUPAC:N1-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-N3-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
InChI key:VPNIQGRFZCTBEZ-SPTGULJVSA-N

分子式:C31H38N4O5S
分子量:578.73
氢键供体数 (HBD):4
氢键受体数 (HBA):6
LogP:2.725
SMILES:C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1
SMILES:C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1

β-Secretase Inhibitor IV is a potent, cell-active inhibitor of BACE-1(IC50s of 15.6 and 16.3nM under BACE-1 concentrations of 2 nM and 100 pM, respectively).

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