[CAS NO. 675103-36-3] BAY-678
PRODUCTS SPECIFICATIONS [675103-36-3]
DESCRIPTION [675103-36-3]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 400.35 |
| Molecular Formula | C20H15F3N4O2 |
| SMILES | N#CC1=NC=C([C@H](C(C(C)=O)=C(C)N2C3=CC=CC(C(F)(F)F)=C3)NC2=O)C=C1 |
Summary
BAY-678 is an orally bioavailable, highly potent, selective and cell-permeable inhibitor of human neutrophil elastase (HNE) , with an IC 50 of 20 nM. BAY-678 is also nominated as a chemical probe to the public via the Structural Genomics Consortium (SGC).
IC50 & Target
IC50: 20 nM (HNE) [1] .
In Vitro
BAY-678 is an orally bioavailable, highly potent, selective and cell-permeable inhibitor of human neutrophil elastase (HNE), with an IC 50 of 20 nM. The Ki value of BAY-678 for MNE is 700 nM. BAY-678 is the 4th generation inhibitor of HNE [1] . BAY-678 is also nominated as a chemical probe to the public via the Structural Genomics Consortium (SGC) [2] . BAY-678 has more than 2,000-fold selectivity in a panel of 21 serine proteases [3] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
BAY-678 (17) reveals significant efficacy in preclinical models of ALI and lung emphysema, demonstrating their anti-inflammatory and anti-remodeling mode of action. Additionally, BAY-678 (17) has shown significant beneficial pulmonary hemodynamic and vascular effects in models of PAH in rats and mice [2] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : ≥ 100 mg/mL ( 249.78 mM )
Ethanol : ≥ 4.76 mg/mL ( 11.89 mM )
* "≥" means soluble, but saturation unknown.
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 2.4978 mL | 12.4891 mL | 24.9781 mL |
| 5 mM | 0.4996 mL | 2.4978 mL | 4.9956 mL |
| 10 mM | 0.2498 mL | 1.2489 mL | 2.4978 mL |
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Add each solvent one by one: 10% DMSO >> 90% corn oil
Solubility: ≥ 2.5 mg/mL (6.24 mM); Clear solution
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.
- [2] von Nussbaum F, et al. Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores. Bioorg Med Chem Lett. 2015 Oct 15;25(20):4370-81.
- [3] BAY-678 Selective chemical probe for Human Neutrophil Elastase.
