Name: Macusine B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317151
Cas No:6792-07-0
常用名:Macusine B
IUPAC:(1S,12S,13R,14R,15E,17R)-15-ethylidene-13-(hydroxymethyl)-17-methyl-3,17-diazapentacyclo[12.3.1.0^{2,10}.0^{4,9}.0^{12,17}]octadeca-2(10),4,6,8-tetraen-17-ium
IUPAC:(1S,12S,13R,14R,15E,17R)-15-ethylidene-13-(hydroxymethyl)-17-methyl-3,17-diazapentacyclo[12.3.1.0^{2,10}.0^{4,9}.0^{12,17}]octadeca-2(10),4,6,8-tetraen-17-ium
InChI key:KRTATNOTKFNEFT-GXFHUVTISA-N

分子式:C20H25N2O
分子量:309.432
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@]3([H])c4[nH]c5ccccc5c4C[C@@]([H])([C@@H]1CO)[N@@+]3(C)C\C2=C\C |TLB:5:3:15.17:23.22,14:15:3.2:23.22,18:17:3.2:23.22,23:1:20:5.13.14,THB:18:17:20:5.13.14|
SMILES:[H][C@@]12C[C@@]3([H])c4[nH]c5ccccc5c4C[C@@]([H])([C@@H]1CO)[N@@+]3(C)C\C2=C\C |TLB:5:3:15.17:23.22,14:15:3.2:23.22,18:17:3.2:23.22,23:1:20:5.13.14,THB:18:17:20:5.13.14|

Macusine B is a dual inhibitor, has almost equal inhibitory activity on both acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).

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