BAY 678

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Cat.No. 5706 - BAY 678 | C20H15F3N4O2 | CAS No. 675103-36-3
Description: Potent and selective cell-permeable human neutrophil elastase (HNE) inhibitor
Chemical Name: 5-[(4R)-5-Acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-2-pyridinecarbonitrile
Purity: ≥98% (HPLC)
Datasheet
Citations
Reviews
Literature

Biological Activity

Potent and selective cell-permeable human neutrophil elastase (HNE) inhibitor (IC50 = 20 nM). Exhibits around 2000-fold selectivity for NHE against a panel of 21 other serine proteases. Effective in an acute lung injury model in vivo. Orally bioavailable. Inactive S-enantiomer (Cat.No.6389) also available.

Licensing Information

This compound is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the BAY 678 probe summary on the SGC website.

Technical Data

M. Wt 400.35
Formula C20H15F3N4O2
Storage Store at -20°C
Purity ≥98% (HPLC)
CAS Number 675103-36-3
InChI Key PGIVGIFOWOVINL-GOSISDBHSA-N
Smiles CC(C([C@H]1C2=CN=C(C#N)C=C2)=C(C)N(C3=CC=CC(C(F)(F)F)=C3)C(N1)=O)=O

The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.

All Tocris products are intended for laboratory research use only.

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 40.03 100

Preparing Stock Solutions

The following data is based on the product molecular weight 400.35. Batch specific molecular weights may vary from batch to batch due to solvent of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 2.5 mL 12.49 mL 24.98 mL
5 mM 0.5 mL 2.5 mL 5 mL
10 mM 0.25 mL 1.25 mL 2.5 mL
50 mM 0.05 mL 0.25 mL 0.5 mL

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Product Datasheets

Safety Datasheet

References

References are publications that support the products' biological activity.

von Nussbaum et al (2015) 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. 10 1163 PMID: 26083237


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