WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 522657
Description: BAY-678 is a potent, selective, cell-permeable HNE inhibitor. BAY-678 inhibits HNE reversibly with an in vitro IC50 = 20 nM and Ki = 15 nM. BAY-678 has more than 2,000-fold selectivity in a panel of 21 serine proteases, and there is no significant inhibition against 7 serine/threonine kinases and 64 pharmacologically relevant proteins.
MedKoo Cat#: 522657
Chemical Formula: C20H15F3N4O2
Exact Mass: 400.1147
Molecular Weight: 400.3612
Elemental Analysis: C, 60.00; H, 3.78; F, 14.24; N, 13.99; O, 7.99
Synonym: BAY-678; BAY678; BAY 678.
IUPAC/Chemical Name: (R)-5-(5-acetyl-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydropyrimidin-4-yl)picolinonitrile
InChi Key: PGIVGIFOWOVINL-GOSISDBHSA-N
InChi Code: InChI=1S/C20H15F3N4O2/c1-11-17(12(2)28)18(13-6-7-15(9-24)25-10-13)26-19(29)27(11)16-5-3-4-14(8-16)20(21,22)23/h3-8,10,18H,1-2H3,(H,26,29)/t18-/m1/s1
SMILES Code: CC(C1=C(C)N(C2=CC=CC(C(F)(F)F)=C2)C(N[C@@H]1C3=CN=C(C#N)C=C3)=O)=O
Human neutrophil elastase (HNE) is a serine protease with broad substrate specificity. It is linked to the pathologic processes of a variety of inflammatory diseases, including idiopathic pulmonary fibrosis, rheumatoid arthritis, adult respiratory distress syndrome, and cystic fibrosis. This highly active protease is able to break down mechanically important structures of the body’s own cellular matrix (e.g., proteins such as elastin and collagen), as well as proteins foreign to the body (e.g., outer cell wall proteins of Gram-negative bacteria). Accordingly, HNE is a potential target for the treatment of diseases and various HNE inhibitors have been described.
BAY-678 is cell-permeable, effluxratio = 2.7, and has a favorable pharmacokinetic profile. The cell based activity of BAY-678 on HNE is not relevant and has not been measured. Efficacy was demonstrated in acute in vivo models, for example, protease-induced acute lung injury (ALI) in mice, where exogenous HNE in the mouse lung was inhibited with Ki = 15 nM after oral administration.
(Copied from http://www.thesgc.org/chemical-probes/BAY-678)
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