Name: Alvelestat tosylate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212711697
Cas No:1240425-05-1
常用名:Alvelestat tosylate
IUPAC:4-methylbenzene-1-sulfonic acid; N-[(5-methanesulfonylpyridin-2-yl)methyl]-6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
IUPAC:4-methylbenzene-1-sulfonic acid; N-[(5-methanesulfonylpyridin-2-yl)methyl]-6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
InChI key:YLZZBCWZQPXIHL-UHFFFAOYSA-N

分子式:C32H30F3N5O7S2
分子量:717.74
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:1.274735
SMILES:Cc1ccc(cc1)S(O)(=O)=O.Cc1c(cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)n1-c1cccc(c1)C(F)(F)F)-c1ccnn1C
SMILES:Cc1ccc(cc1)S(O)(=O)=O.Cc1c(cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)n1-c1cccc(c1)C(F)(F)F)-c1ccnn1C

Alvelestat can inhibit neutrophil elastase (NE), which acts an important role in NET formation.

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