2117404-84-7
2117404-84-7
Chemical Structure
BAY-677
- CAS No.: 2117404-84-7
- Formula:C20H15F3N4O2
- Molecular Weight:400.35
IUPAC Name: (S)-5-(5-acetyl-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydropyrimidin-4-yl)picolinonitrile
InChIKey: PGIVGIFOWOVINL-SFHVURJKSA-N
SMILES: N#CC1=NC=C([C@@H](C(C(C)=O)=C(C)N2C3=CC=CC(C(F)(F)F)=C3)NC2=O)C=C1
Biological Activity: BAY-677 is an inactive control for BAY-678. BAY-678 is an orally bioavailable, highly potent, selective and cell-permeable inhibitor of human neutrophil elastase (HNE), with an IC50 of 20 nM[1]. BAY-678 is also nominated as a chemical probe to the public via the Structural Genomics Consortium (SGC)[2].
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BAY-677 | 97.68% | BAY-677 is an inactive control for BAY-678. BAY-678 is an orally bioavailable, highly potent, selective and cell-permeable inhibitor of human neutrophil elastase (HNE), with an IC50 of 20 nM. BAY-678 is also nominated as a chemical probe to the public via the Structural Genomics Consortium (SGC). | ||||||||||||||||||||
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BAY-677 (Standard) | ≥98% | BAY-677 (Standard) is the analytical standard of BAY-677 (HY-111457). This product is intended for research and analytical applications. BAY-677 is an inactive control for BAY-678. BAY-678 is an orally bioavailable, highly potent, selective and cell-permeable inhibitor of human neutrophil elastase (HNE), with an IC50 of 20 nM. BAY-678 is also nominated as a chemical probe to the public via the Structural Genomics Consortium (SGC). | ||||||||||||||||||||
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References
- [1]. von Nussbaum F, et al. Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem. 2015 Jul;10(7):1163-73.. [Content Brief]
- [2]. von Nussbaum F, et al. Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores. Bioorg Med Chem Lett. 2015 Oct 15;25(20):4370-81. [Content Brief]
