Name: NCX-6560
Rating: 5 (10 reviews)

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HIT ID:HIT212693167
Cas No:803728-45-2
常用名:NCX-6560
别名:NCX6560
IUPAC:4-(nitrooxy)butyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate
IUPAC:4-(nitrooxy)butyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate
InChI key:QBBIDMMGINYIJJ-FIRIVFDPSA-N

分子式:C37H42FN3O8
分子量:675.754
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:6.118776
SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)OCCCCO[N+]([O-])=O)-c1ccccc1
SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)OCCCCO[N+]([O-])=O)-c1ccccc1

NCX-6560 is a novel NO-releasing derivative of atorvastatin, with those of atorvastatin. NCX-6560 inhibits cholesterol biosynthesis in rat smooth muscle cells with an IC50 of 1.9 μM.

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