Name: Argifin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314954
Cas No:243975-37-3
常用名:Argifin
IUPAC:(2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(methylcarbamoyl)amino]methanimidoyl}amino)propyl]-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11,15-dicarboxylic acid
IUPAC:(2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(methylcarbamoyl)amino]methanimidoyl}amino)propyl]-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11,15-dicarboxylic acid
InChI key:UHBHXSDKGLPPGO-HTDHLNIYSA-N

分子式:C29H41N9O10
分子量:675.7
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
SMILES:CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O

Argifin is a sub-nanomolar chitinase inhibitor produced by soil microorganisms (IC50: 0.025 μM, 6.4 μM, 1.1 μM, and 4.5 μM for SmChiA [Serratia marcescens chitinase A], SmChiB, Aspergillus fumigatus chitinase B1, and human chitotriosidase).

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