5-(5-acetyl-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4tetrahydropyrimidin-4-yl)picolinonitrile Chemical Properties

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)

pka

9.35±0.70(Predicted)

form 

Solid

color 

Light yellow to yellow

5-(5-acetyl-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4tetrahydropyrimidin-4-yl)picolinonitrile Usage And Synthesis

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