| Identification | Back Directory | [Name]
5-(5-acetyl-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4tetrahydropyrimidin-4-yl)picolinonitrile | [CAS]
675103-35-2 | [Synonyms]
BAY-678 racemate
BAY 678 racemate,BAY678 racemate
5-(5-acetyl-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4tetrahydropyrimidin-4-yl)picolinonitrile
2-Pyridinecarbonitrile, 5-[5-acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]- | [Molecular Formula]
C20H15F3N4O2 | [MDL Number]
MFCD31726287 | [MOL File]
675103-35-2.mol | [Molecular Weight]
400.35 |
| Chemical Properties | Back Directory | [Boiling point ]
623.9±55.0 °C(Predicted) | [density ]
1.42±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: ≥ 150 mg/mL (374.67 mM); Water: < 0.1 mg/mL (insoluble) | [form ]
Solid | [pka]
9.35±0.70(Predicted) | [color ]
Light yellow to yellow |
| Hazard Information | Back Directory | [Uses]
BAY-678 racemate is a racemate of 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). | [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. DOI:10.1002/cmdc.201500131 |
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Biorbyt Ltd.
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