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ChemicalBook >> CAS DataBase List >>2,4(1H,3H)-Pyrimidinedione, 3-[4-chloro-3-(2-methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-, (3R)-

2,4(1H,3H)-Pyrimidinedione, 3-[4-chloro-3-(2-methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-, (3R)-

2,4(1H,3H)-Pyrimidinedione, 3-[4-chloro-3-(2-methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-, (3R)- Structure
2,4(1H,3H)-Pyrimidinedione, 3-[4-chloro-3-(2-methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-, (3R)- structure
CAS No.
2639638-66-5
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-[4-chloro-3-(2-methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-, (3R)-
Synonyms
BAY-069, 10 mM in DMSO;2,4(1H,3H)-Pyrimidinedione, 3-[4-chloro-3-(2-methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-, (3R)-
CBNumber:
CB012246326
Molecular Formula:
C22H14ClF3N2O3
Molecular Weight:
446.81
MDL Number:
MOL File:
2639638-66-5.mol
Last updated:2025-10-14 17:34:16
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2,4(1H,3H)-Pyrimidinedione, 3-[4-chloro-3-(2-methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-, (3R)- Properties

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

2,4(1H,3H)-Pyrimidinedione, 3-[4-chloro-3-(2-methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-, (3R)- Chemical Properties,Uses,Production

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 (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[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 (CLblood), moderate volume of distribution at steady state (Vss), and intermediate terminal half-life (t1/2).

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].
CLblood (L/h/kg)Vss (L/kg)t1/2 (h), i.v.AUCnorm (kg·h/L), i.v.AUCnorm (kg·h/L), p.o.F (%), p.o.
0.640.251.62.92.589

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

2,4(1H,3H)-Pyrimidinedione, 3-[4-chloro-3-(2-methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-, (3R)- Preparation Products And Raw materials

Raw materials

Preparation Products

2,4(1H,3H)-Pyrimidinedione, 3-[4-chloro-3-(2-methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-, (3R)- Suppliers

Global( 23)Suppliers
Supplier Tel Email Country ProdList Advantage
TargetMol Chemicals Inc. 		+1-781-999-5354; +17819995354 marketing@targetmol.com United States 32434 58
Aladdin Scientific 		tp@aladdinsci.com United States 52924 58
Shanghai Chaolan Chemical Technology Center 021-QQ：65489617 15618227136 Sales@ATKchemical.com China 9954 58
Chuzhou KeMail Chemical Technology Co., Ltd 0550-5196001 15000891977 wj520wjxby@126.com China 1942 55
Heze Development Zone chuangli Chemical Co., Ltd. 0530-+86-530-529 6766，+86-15666160102 15666160102 info@chuangli-chem.com China 835 55
Shenzhen Polymeri Biochemical Technology Co., Ltd. +86-400-002-6226 +86-13028896684; sales@rrkchem.com China 57422 58
Guangzhou Younan Technology Co., Ltd 020-82000279 18988968278 YN_research@163.com China 3003 58
ShangHai ChuanQian Chemcial Technique Centre 15869524721 3525679403@qq.com China 4995 58
Shanghai Xiushi Biomedical Co., LTD 15002184385 15021598081 15002184385 product001@xiushipharm.com China 4723 58
Chunchuang (Wuhan) Technology Co., Ltd 15727060112 yutianchun2007@126.com China 9802 58
Supplier Advantage
TargetMol Chemicals Inc. 		58
Aladdin Scientific 		58
Shanghai Chaolan Chemical Technology Center 58
Chuzhou KeMail Chemical Technology Co., Ltd 55
Heze Development Zone chuangli Chemical Co., Ltd. 55
Shenzhen Polymeri Biochemical Technology Co., Ltd. 58
Guangzhou Younan Technology Co., Ltd 58
ShangHai ChuanQian Chemcial Technique Centre 58
Shanghai Xiushi Biomedical Co., LTD 58
Chunchuang (Wuhan) Technology Co., Ltd 58

View Lastest Price from 2,4(1H,3H)-Pyrimidinedione, 3-[4-chloro-3-(2-methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-, (3R)- manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
BAY-069 pictures 2025-10-14 BAY-069
2639638-66-5
 US $71.00-277.00 / mg 99.81% 10g TargetMol Chemicals Inc.
  • BAY-069 pictures
  • BAY-069
    2639638-66-5
  • US $71.00-277.00 / mg
  • 99.81%
  • TargetMol Chemicals Inc.

2,4(1H,3H)-Pyrimidinedione, 3-[4-chloro-3-(2-methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-, (3R)- Spectrum

INDEX NAME NOT YET ASSIGNED(2639638-66-5)1HNMR
BAY-069, 10 mM in DMSO 2,4(1H,3H)-Pyrimidinedione, 3-[4-chloro-3-(2-methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-, (3R)- 2639638-66-5