| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
PPAR-γ
BAY-5094 targets PPAR gamma (PPARG), a member of the nuclear receptor superfamily that functions as a transcription factor regulating lipid metabolism, adipocyte differentiation, and insulin sensitivity. As a covalent inverse agonist, BAY-5094 binds irreversibly to PPARG and stabilizes the receptor in an inactive conformation, thereby suppressing PPARG-mediated transcriptional activity. PPARG is a clinically validated target for metabolic diseases, and its modulation is being explored in oncology, particularly in luminal bladder cancer where PPARG signaling plays a pathogenic role. |
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| ln Vitro |
BAY-5094 shows potent in vitro activity as a covalent PPARG inverse agonist. The compound effectively suppresses PPARG-mediated transcriptional activity in cell-based reporter assays. As a covalent inhibitor, BAY-5094 forms an irreversible bond with its target, resulting in sustained inhibition of PPARG function. The compound has been characterized in biochemical and cellular assays as part of the discovery campaign.
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| ln Vivo |
In vivo activity of BAY-5094 has been demonstrated in preclinical models of luminal bladder cancer. As an orally active compound, BAY-5094 is suitable for convenient administration via oral gavage. The compound's oral bioavailability and covalent mechanism of action support its potential for research applications in oncology, particularly for tumors driven by PPARG signaling.
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| Enzyme Assay |
Non-cell-based binding assays for BAY-5094 typically involve measuring the affinity and covalent binding of the compound to PPARG using biochemical techniques. A standard protocol includes surface plasmon resonance (SPR) or radioligand binding assays using purified PPARG protein. The covalent nature of the interaction can be assessed by pre-incubation of the compound with the protein followed by washout experiments to confirm irreversible binding. IC50 or Kd values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for BAY-5094 typically involve luminal bladder cancer cell lines or reporter cell lines expressing PPARG. A representative protocol includes culturing cells in appropriate medium, treating with BAY-5094 at various concentrations (0.001–100 μM) for 24–72 hours, and assessing PPARG transcriptional activity using luciferase reporter assays. Cell viability is assessed using MTT or CellTiter-Glo assays to evaluate antiproliferative effects. Target engagement can be confirmed by measuring expression of PPARG target genes by qRT-PCR.
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| Animal Protocol |
In vivo animal studies with BAY-5094 are conducted in xenograft mouse models of luminal bladder cancer. A typical protocol involves subcutaneous implantation of tumor cells in immunodeficient mice, allowing tumors to reach a certain size, administering BAY-5094 via oral gavage at doses determined from pharmacokinetic studies, monitoring tumor growth and body weight, and harvesting tumors for analysis of PPARG target gene expression and pathway modulation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of BAY-5094 have been characterized for oral administration. The compound is orally active, supporting convenient administration. BAY-5094 has a molecular weight of 476.88 g/mol. The compound is soluble in DMSO and is stored as a powder at -20°C for long-term stability. Standard PK parameters including half-life, Cmax, and AUC can be determined from plasma concentration-time profiles following oral administration.
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| Toxicity/Toxicokinetics |
As a research compound, BAY-5094 is not intended for human therapeutic use, and comprehensive toxicological data are limited to preclinical studies. Standard safety assessments would include cytotoxicity screening, hERG channel inhibition testing, and preliminary toxicology studies in animal models to determine maximum tolerated dose and identify potential target organs of toxicity.
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| References | |
| Additional Infomation |
BAY-5094 (CAS 2891706-78-6) is a first-in-class covalent PPARG inverse agonist with oral activity, developed for the research of luminal bladder cancer. The compound is referenced in the primary literature (Bioorganic & Medicinal Chemistry, 2023) for its discovery and characterization as an orally bioavailable covalent PPARG inverse-agonist. BAY-5094 represents a novel approach to targeting PPARG in oncology research.
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| CAS # |
2891706-78-6
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| Appearance |
White to off-white solid powder
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| SMILES |
O=C(C1=CC(C(NCC2=CC=C(C(F)=C2)F)=O)=C(C=C1Cl)F)NC3=CC=C(C(C)(C)O)C=C3
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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) |
Typically soluble in DMSO (e.g. 10 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (10.48 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 5 mg/mL (10.48 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 5 mg/mL (10.48 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
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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