BAY-069 free base · Synonyms: BAY 069 · BAY069
BAY-069 is a potent branched-chain amino acid transaminases 1 and BCAT2 inhibitor.
For research use only. Not for human or veterinary use.
Description
BAY-069 is a potent branched-chain amino acid transaminases 1 (BCAT1) and BCAT2 inhibitor with IC50 values of 31 nM and 153 nM, respectively. BAY-069 also can be used as a chemical probe. BAY-069 can be used tor research anticancer.
Biological activity
In Vitro BAY-069 (compound 36a) (70 nM-50 μM; 72 h) inhibits cell proliferation of U-87 and MDA-MB-231. In Vivo BAY-069 exhibits high metabolic stability after incubation with human liver microsomes (CLblood = 0.11 L/h/kg) and moderate metabolic stability after incubation with rat hepatocytes (CLblood = 1.8 L/h/kg); shows high permeability through Caco-2 cell monolayers with no hint of efflux. BAY-069 (0.3 mg/kg for i.v.; 0.6 mg/kg for p.o.; single dosage) exhibits a favorable pharmacokinetic profile after i.v. dosing with low blood clearance (CLblood), moderate volume of distribution at steady state (Vss), and intermediate terminal half-life (t1/2).
Identifiers
- SMILES
-
CC(C=CC=C1)=C1OC2=C(Cl)C3=C(C=CC=C3)C(N4C(NC(C(F)(F)F)=CC4=O)=O)=C2 - InChIKey
-
UNSHMXUHOHBLIQ-UHFFFAOYSA-N
Specifications
- MW (average)
- 446.8060
- Formula
- C22H14ClF3N2O3
- CAS No.
- 2639638-66-5
- Physical state
- Solid
- Color
- White to off-white
- Shipping
- Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
- Storage
- Powder -20℃ 3 years, 4°C 2 years; In solvent -20℃ 1 month;
Solubility
Soluble in DMSO
- In vitro
- DMSO : 100 mg/mL
Documents
References
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