Name: SM-1295
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321078
Cas No:1562375-46-5
常用名:SM-1295
IUPAC:(5S,8S,10aR)-N-[(4-bromophenyl)methyl]-5-[(2S)-2-(methylamino)propanamido]-6-oxo-3-(2-phenylacetyl)-decahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
IUPAC:(5S,8S,10aR)-N-[(4-bromophenyl)methyl]-5-[(2S)-2-(methylamino)propanamido]-6-oxo-3-(2-phenylacetyl)-decahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
InChI key:SOTHWYAWZKSXSA-CTZQYXLCSA-N

分子式:C29H36BrN5O4
分子量:598.542
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)Cc1ccccc1)NC(=O)[C@H](C)NC)C(=O)NCc1ccc(Br)cc1
SMILES:[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)Cc1ccccc1)NC(=O)[C@H](C)NC)C(=O)NCc1ccc(Br)cc1

SM-1295 serves as an antagonist to the inhibitor of apoptosis protein (IAP), demonstrating dissociation constant (Kd) values of 3077 nM for XIAP-BIR3, 3.2 nM for c-IAP1-BIR3, and 9.5 nM for c-IAP2-BIR3, respectively[1][2].

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