Name: FK706
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314985
Cas No:144055-55-0
常用名:FK706
IUPAC:2-[(4-{[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl}phenyl)formamido]acetic acid sodium
IUPAC:2-[(4-{[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl}phenyl)formamido]acetic acid sodium
InChI key:FMMHVDDHNBMTBC-JSAITXCESA-N

分子式:C26H33F3N4NaO7
分子量:593.556
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na].CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
SMILES:[Na].CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F

FK706 is a slow-binding and competitive human neutrophil elastase inhibitor (IC50: 83 nM; Ki: 4.2 nM). FK706 also inhibits mouse neutrophil elastase and porcine pancreatic elastase (IC50s: 22 nM and 100 nM, respectively). FK706 has an anti-inflammatory effect.

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