MedKoo Cat#: 121216 | Name: BAY-069

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

BAY-069
BAY-069
CAS#2639638-66-5 (M-atropisomer)

Theoretical Analysis

MedKoo Cat#: 121216

Name: BAY-069

CAS#: 2639638-66-5 (M-atropisomer)

Chemical Formula: C22H14ClF3N2O3

Exact Mass: 446.0645

Molecular Weight: 446.81

Elemental Analysis: C, 59.14; H, 3.16; Cl, 7.93; F, 12.76; N, 6.27; O, 10.74

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
2639638-66-5 (M-atropisomer) 2639638-67-6 ((P-aatropisomer) 2639435-48-4 (racemate)
Synonym
BAY-069; BAY069; BAY 069
IUPAC/Chemical Name
3-(4-chloro-3-(o-tolyloxy)naphthalen-1-yl)-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
InChi Key
UNSHMXUHOHBLIQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H14ClF3N2O3/c1-12-6-2-5-9-16(12)31-17-10-15(13-7-3-4-8-14(13)20(17)23)28-19(29)11-18(22(24,25)26)27-21(28)30/h2-11H,1H3,(H,27,30)
SMILES Code
ClC1=C2C(C=CC=C2)=C(N3C(NC(C(F)(F)F)=CC3=O)=O)C=C1OC4=CC=CC=C4C
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
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 Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 446.81 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Günther J, Hillig RC, Zimmermann K, Kaulfuss S, Lemos C, Nguyen D, Rehwinkel H, Habgood M, Lechner C, Neuhaus R, Ganzer U, Drewes M, Chai J, Bouché L. BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J Med Chem. 2022 Nov 10;65(21):14366-14390. doi: 10.1021/acs.jmedchem.2c00441. Epub 2022 Oct 19. PMID: 36261130.