| Size | Price | Stock | Qty |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
| Targets |
hPPARγ (IC50 = 6.3 nM); mouse PPARγ (IC50 = 24 nM)
BAY-0069 targets peroxisome proliferator-activated receptor gamma (PPARγ), a nuclear receptor that plays a key role in adipocyte differentiation, glucose metabolism, and inflammation. As a covalent inverse agonist, BAY-0069 binds to PPARγ and stabilizes its interaction with co-repressors, thereby reducing its basal transcriptional activity. This is in contrast to agonists like rosiglitazone, which activate the receptor. |
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| ln Vitro |
BAY-0069 inhibits CYP2C8 with an IC50 of 4.3 μM[1].
BAY-0069 (0.1 nM-1 μM; 7 days) exhibits antiproliferative effects in the PPARγ-amplified cell line UM-UC-9[1]. In vitro, BAY-0069 is a potent and selective PPARγ inverse agonist. It has IC50 values of 6.3 nM for human PPARγ and 24 nM for mouse PPARγ. It acts as an inverse agonist in a co-repressor reporter assay with an EC50 of 9.6 nM. It exhibits anti-proliferation efficacy against PPARγ-dependent growth in cultures, with an IC50 of 2.5 nM in UM-UC9 cells and a maximum inhibition of 72%. |
| ln Vivo |
BAY-0069 (1 μM; 1 h) shows remarkable microsomal stability, with CLb,hmic in rat liver hepatocytes of 3.9 L/h/kg and CLb,hmic of 0.47 L/h/kg in human liver microsomes[1].
In vivo, BAY-0069 is being investigated for its potential in treating various cancers. Its ability to inhibit PPARγ-dependent growth suggests it could be effective against cancers that depend on PPARγ signaling. Specific in vivo efficacy data, including dosing regimens and animal models, would be detailed in the primary literature. |
| Enzyme Assay |
The inhibitory activity of BAY-0069 is assessed using in vitro binding and functional assays. Its binding affinity for PPARγ is measured using radioligand binding assays or surface plasmon resonance (SPR). Its inverse agonist activity is confirmed in co-repressor reporter assays, where its ability to enhance the interaction between PPARγ and co-repressors is measured.
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| Cell Assay |
Cell Line: PPARγ-amplified cell line UM-UC-9
Concentration: 0.0001, 0.001, 0.01, 0.01 and 1 μM Incubation Time: 7 days Result: Inhibited PPARγ-amplified cell line UM-UC-9 with an IC50 of 2.54 nM. The cellular activity of BAY-0069 is evaluated in cancer cell lines that depend on PPARγ signaling, such as UM-UC9 cells. Cells are treated with varying concentrations of the compound, and cell viability is assessed using standard assays like CellTiter-Glo. Its effect on PPARγ target gene expression is measured by qRT-PCR. |
| Animal Protocol |
In animal studies, BAY-0069 would typically be administered to mice bearing subcutaneous xenografts of PPARγ-dependent tumors. Dosing regimens are determined based on its pharmacokinetic properties. Tumor growth inhibition is measured, and at study termination, tumors are harvested for pharmacodynamic analysis, including assessment of PPARγ target gene expression.
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| ADME/Pharmacokinetics |
BAY-0069 is a small molecule with a molecular weight of 466.28 g/mol and a chemical formula of C22H16BrN3O4. It is soluble in DMSO and is typically stored as a powder at -20°C. It is a covalent inhibitor, which provides sustained target engagement. Detailed pharmacokinetic parameters are available from preclinical studies.
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| Toxicity/Toxicokinetics |
Formal toxicology data for BAY-0069 is not extensively documented in the provided sources, as it is a research compound. Its safety profile has not been established in comprehensive toxicology studies. As a covalent inhibitor, its potential for off-target effects would need to be carefully evaluated. Its use is limited to research applications.
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| References | |
| Additional Infomation |
BAY-0069 (CAS: 420826-65-9) is a potent and selective covalent PPARγ inverse agonist. Its IC50 of 6.3 nM for human PPARγ and its efficacy in inhibiting PPARγ-dependent cell growth make it a valuable tool for studying the role of PPARγ in cancer and other diseases. Its covalent mechanism of action provides sustained inhibition of the target. It is available from various commercial suppliers for research purposes.
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| Molecular Formula |
C22H16BRN3O4
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|---|---|
| Molecular Weight |
466.28
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| Exact Mass |
465.032
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| Elemental Analysis |
C, 56.67; H, 3.46; Br, 17.14; N, 9.01; O, 13.72
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| CAS # |
420826-65-9
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| Related CAS # |
420826-65-9
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| PubChem CID |
2298593
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| Appearance |
Off-white to light yellow solid
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| LogP |
5.6
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
30
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| Complexity |
622
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br
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| InChi Key |
BJSIVXYQIGFUCG-UHFFFAOYSA-N
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| InChi Code |
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)
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| Chemical Name |
2-bromo-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
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| Synonyms |
BAY-0069; BAY 0069; BAY0069
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ~100 mg/mL (214.46 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1446 mL | 10.7232 mL | 21.4463 mL | |
| 5 mM | 0.4289 mL | 2.1446 mL | 4.2893 mL | |
| 10 mM | 0.2145 mL | 1.0723 mL | 2.1446 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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