ChemicalBook CAS DataBase List 2639638-66-5

2639638-66-5

Name	INDEX NAME NOT YET ASSIGNED
CAS	2639638-66-5
Molecular Formula	C22H14ClF3N2O3
Molecular Weight	446.81
MOL File	2639638-66-5.mol

Chemical Properties

density	1.450±0.06 g/cm3(Predicted)
solubility	DMSO: Soluble: =10 mg/ml Ethanol: Soluble: =10 mg/ml
form	Solid
pka	6.02±0.40(Predicted)
color	White to off-white

Hazard Information

Description

BAY-069 is a BCAT1/2 Inhibitor and Chemical Probe. BAY-069 displays high cellular activity and very good selectivity. BAY-069 displays high cellular activity. Its overall in vivo pharmacokinetic profile and its selectivity in various in vitro panels suggest that BAY-069 is suitable for in vivo experiments. Note: BAY-069 is the more active atropisomer with M-helical with IC50 of 31 nM (BCAT1), while the other atropisomer has only micromolar activity. BAY-771 is the negative control for BAY-609.

Uses

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[1].

in vivo

BAY-069 exhibits high metabolic stability after incubation with human liver microsomes (CL_blood = 0.11 L/h/kg) and moderate metabolic stability after incubation with rat hepatocytes (CL_blood = 1.8 L/h/kg); shows high permeability through Caco-2 cell monolayers with no hint of efflux^[1].
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 (CL_blood), moderate volume of distribution at steady state (V_ss), and intermediate terminal half-life (t_1/2).

Animal Model:

Male Wistar rats^[1]

Dosage:

0.3 mg/kg for i.v.; 0.6 mg/kg for p.o.

Administration:

i.v. or p.o.; single dosage

Result:

Pharmacokinetic Parameters of BAY-069 in male Wistar rats^[1].

CL_blood (L/h/kg)	V_ss (L/kg)	t_1/2 (h), i.v.	AUC_norm (kg·h/L), i.v.	AUC_norm (kg·h/L), p.o.	F (%), p.o.
0.64	0.25	1.6	2.9	2.5	89

References

[1] Günther J, et al. BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J Med Chem. 2022 Oct 19. DOI:10.1021/acs.jmedchem.2c00441

Spectrum Detail

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