| Identification | Back Directory | [Name]
BAY-678 | [CAS]
675103-36-3 | [Synonyms]
BAY-678
5-[(4R)-5-Acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-2-pyridinecarbonitrile
2-Pyridinecarbonitrile, 5-[(4R)-5-acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]- | [Molecular Formula]
C20H15F3N4O2 | [MDL Number]
MFCD29924806 | [MOL File]
675103-36-3.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. ]
2-8°C | [solubility ]
≤30mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide | [form ]
powder | [pka]
9.35±0.70(Predicted) | [color ]
white to light brown | [optical activity]
[α]/D +21 to +29°, c = 0.5 in methanol |
| Hazard Information | Back Directory | [Uses]
BAY 678, is a human neutrophil elastase (HNE) inhibitor with >2,000-fold selectivity for HNE over a panel of 21 other serine proteases. | [Biological Activity]
bay-678 is an orally active, potent and selective inhibitor of human neutrophil elastase (hne) [1][2].human neutrophil elastase (hne) is a member of the chymotrypsin-like family of serine proteases and is stored in the neutrophil cytoplasm. hne is a key protease for matrix degradation and high hne activity is occured in inflammatory diseases. so hne is a potential target for the treatment of pulmonary diseases such as acute lung injury (ali), acute respiratory distress syndrome (ards), chronic obstructive pulmonary disease (copd), bronchiectasis (be), and pulmonary hypertension (ph) [1].bay-678 is an orally active, potent and selective inhibitor of human neutrophil elastase (hne). bay-678 inhibited hne reversibly with ic50 value of 20 nm and ki value of 15 nm. bay-678 showed no inhibition against 21 related serine proteases, up to a concentration of 30 μm [1].in rats, bay-678 showed medium clearance with t1/2 of 1.3h [1]. | [Biochem/physiol Actions]
BAY-678 is an orally available, highly potent and selective inhibitor of human neutrophil elastase (HNE). For full characterization details, please visit the BAY-678 probe summary on the Structural Genomics Consortium (SGC) website.BAY-677 is used as a negative control and is available from Sigma. To learn more about and purchase BAY-677, click here.To learn about other SGC chemical probes for protein targets, visit sigma.com/sgc | [storage]
Store at -20°C | [References]
[1]. von nussbaum f, li vm, allerheiligen s, 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.
[2]. von nussbaum f, li vm, meibom d, et al. potent and selective human neutrophil elastase inhibitors with novel equatorial ring topology: in vivo efficacy of the polar pyrimidopyridazine bay-8040 in a pulmonary arterial hypertension rat model. chemmedchem. 2016 jan 19;11(2):199-206. |
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