Name: BAY-677
Rating: 5 (10 reviews)

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HIT ID:HIT212669436
Cas No:2117404-84-7
常用名:BAY-677
IUPAC:5-[(4S)-5-acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl]pyridine-2-carbonitrile
IUPAC:5-[(4S)-5-acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl]pyridine-2-carbonitrile
InChI key:PGIVGIFOWOVINL-SFHVURJKSA-N

分子式:C20H15F3N4O2
分子量:400.361
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:3.23
SMILES:CC(=O)C1=C(C)N(C(=O)N[C@H]1c1ccc(nc1)C#N)c1cccc(c1)C(F)(F)F |c:3|
SMILES:CC(=O)C1=C(C)N(C(=O)N[C@H]1c1ccc(nc1)C#N)c1cccc(c1)C(F)(F)F |c:3|

BAY-677, serving as an inactive control for BAY-678, is distinguished by BAY-678's capabilities as an orally bioavailable, selective, and cell-permeable inhibitor of human neutrophil elastase (HNE), showcasing a high potency with an IC50 of 20 nM[1]. Furthermore, BAY-678 has been publicly nominated as a chemical probe by the Structural Genomics Consortium (SGC)[2].

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