Name: BuChE-IN-6
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214433109
Cas No:2003213-07-6
常用名:BuChE-IN-6
IUPAC:1-({1-[(1S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]-1H-1,2,3-triazol-4-yl}methyl)-2,3-dihydro-1H-indole-2,3-dione
IUPAC:1-({1-[(1S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]-1H-1,2,3-triazol-4-yl}methyl)-2,3-dihydro-1H-indole-2,3-dione
InChI key:KESHTJCSTIPJBH-QWNRATHESA-N

分子式:C21H26N4O2
分子量:366.465
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C1CC[C@@H](C)C[C@@H]1n1cc(CN2C(=O)C(=O)c3ccccc23)nn1
SMILES:CC(C)C1CC[C@@H](C)C[C@@H]1n1cc(CN2C(=O)C(=O)c3ccccc23)nn1

BuChE-IN-6 (compound 1b) is a highly effective and specific inhibitor of BuChE (butyrylcholinesterase), demonstrating an IC50 value of 0.46 μM for eqBuChE and 0.51 μM for hBuChE. Furthermore, BuChE-IN-6 has the additional capability of inhibiting the self-aggregation of Aβ 42 [1].

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