A selective, cell permeable inhibitor of human neutrophil elastase
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BAY-678

Item No. 18615

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
5-[(4R)-5-acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-2-pyridinecarbonitrile
CAS Number
675103-36-3
Molecular Formula
C20H15F3N4O2
Formula Weight
400.4
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 30 mg/mlDMSO: 30 mg/mlDMSO:PBS (pH 7.2) (1:2): 0.33 mg/ml
λmax
228, 277 nm
SMILES
O=C1N(C2=CC(C(F)(F)F)=CC=C2)C(C)=C(C(C)=O)[C@@H](C3=CN=C(C#N)C=C3)N1
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
InChi Key
PGIVGIFOWOVINL-GOSISDBHSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    Cayman Chemical
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    Product Description

    BAY-678 is a cell permeable inhibitor of human neutrophil elastase. This product, the (R) isomer, inhibits human neutrophil elastase with an in vitro IC50 value of 20 nM.1,2 BAY-678 displays greater than 2,000-fold selectivity for neutrophil elastase over a panel of 21 serine proteases, and there is no significant inhibition against 7 serine/threonine kinases and 64 pharmacologically relevant proteins.1,2 It has a favorable pharmacokinetic profile and demonstrates efficacy in acute in vivo models, including protease-induced acute lung injury in mice.1,2 See the Structural Genomics Consortium (SGC) website for more information.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. von Nussbaum, F., and Li, V.M.J. Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores. Bioorg. Med. Chem. Lett. 25(20), 4370-4381 (2015).

    2. von Nussbaum, F., Li, V.M.-J., 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 10(7), 1163-1173 (2015).