Name: (R)-BAY-85-8501
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212686668
Cas No:2446175-39-7
常用名:(R)-BAY-85-8501
IUPAC:(4R)-4-(4-cyano-2-methanesulfonylphenyl)-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
IUPAC:(4R)-4-(4-cyano-2-methanesulfonylphenyl)-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
InChI key:YAJWYFPMASPAMM-FQEVSTJZSA-N

分子式:C22H17F3N4O3S
分子量:474.46
氢键供体数 (HBD):0
氢键受体数 (HBA):5
LogP:2.4084463
SMILES:CN1[C@H](C(C#N)=C(C)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:5|
SMILES:CN1[C@H](C(C#N)=C(C)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:5|

(R)-BAY-85-8501 is the less active enantiomer of BAY-85-8501, a selective and potent Human Neutrophil Elastase (HNE) inhibitor with an IC50 of 65 pM.

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