BAY-0069

• CAT Number: I042622
• CAS Number: 420826-65-9
• Molecular Formula: C22H16BrN3O4
• Molecular Weight: 466.28
• Purity: ≥95%
• Synonyms: 2-bromo-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
• InChI: InChI=1S/C22H16BrN3O4/c1-2-13-3-5-14(6-4-13)22-25-19-11-15(7-10-20(19)30-22)24-21(27)17-12-16(26(28)29)8-9-18(17)23/h3-12H,2H2,1H3,(H,24,27)
• InChIKey: BJSIVXYQIGFUCG-UHFFFAOYSA-N
• SMILES: CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

BAY-0069 is a potent and selective PPARγ inverse agonist with an IC50 value of 6.3 nM and 24 nM for human PPARγ and mouse PPARγ. BAY-0069 can be used to research cancer[1].
BAY-0069 inhibits CYP2C8 with an IC50 of 4.3 μM[1].
BAY-0069 (0.1 nM-1 μM; 7 days) leads to antiproliferative effects in the PPARγ-amplified cell line UM-UC-9[1].
BAY-0069 (1 μM; 1 h) exhibits excellent microsomal stability with CLb,hmic of 0.47 L/h/kg in human liver microsomes and CLb,rhep of 3.9 L/h/kg in rat liver hepatocytes[1].
Pharmacokinetic Parameters of BAY-0069 in female NMRI nu/nu mice[1].

Route
P.O. (100 mg/kg)
I.P.
S.C.

AUC0-tlast (mg/L·h)
0.074
0.26
0.045

Cmax (nM)
35
59
4.4

Reference

[1]. Orsi DL, Goldstein JT, et al. Discovery and Structure-Based Design of Potent Covalent PPARγ Inverse-Agonists BAY-4931 and BAY-0069. J Med Chem. 2022 Nov 10;65(21):14843-14863.
 [Content Brief]