Name: NPD-001
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317524
Cas No:469863-16-9
常用名:NPD-001
别名:NPD001, NPD 001
IUPAC:(4aS,8aR)-2-cycloheptyl-4-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
IUPAC:(4aS,8aR)-2-cycloheptyl-4-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
InChI key:DNDNLFXKQSTINI-WUFINQPMSA-N

分子式:C33H40N6O4
分子量:584.721
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c1
SMILES:[H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c1

NPD-001 is an effective inhibitor of TbrPDEB1. NPD-001 is 10-fold more potent on hPDE4 (hPDE4B1 IC50 = 0.6 nM) than on TbrPDEB1 (IC50 = 4 nM).

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