| Identification | Back Directory | [Name]
Benzamide, 2-bromo-N-[2-(4-ethylphenyl)-5-benzoxazolyl]-5-nitro- | [CAS]
420826-65-9 | [Synonyms]
Benzamide, 2-bromo-N-[2-(4-ethylphenyl)-5-benzoxazolyl]-5-nitro-
2-bromo-N-(2-(4-ethylphenyl)benzo[d]oxazol-5-yl)-5-nitrobenzamide | [Molecular Formula]
C22H16BrN3O4 | [MOL File]
420826-65-9.mol | [Molecular Weight]
466.29 |
| Chemical Properties | Back Directory | [Boiling point ]
531.3±50.0 °C(Predicted) | [density ]
1.530±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: 2mg/mL, clear | [form ]
Solid | [pka]
10.01±0.43(Predicted) | [color ]
Off-white to light yellow |
| Hazard Information | Back Directory | [Description]
BAY-0069 is a Potent Covalent PPARγ Inverse-Agonist. | [Uses]
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]. | [in vivo]
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 |
| [IC 50]
hPPARγ: 6.3 nM (IC50); mouse PPARγ: 24 nM (IC50) | [References]
[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. DOI:10.1021/acs.jmedchem.2c01379 |
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| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
| Company Name: |
Biorbyt Ltd.
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| Tel: |
+44 (0)1223 859 353 |
| Website: |
http://www.biorbyt.com |
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