| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Bromodomain and extra-terminal (BET) proteins, specifically BRD4 (IC50 = 1.02 microM), as well as BRD2, BRD3, and BRDT. (rac)-BAY1238097 binds to the bromodomain of BET proteins, disrupting protein-protein interactions and modulating gene transcription. By inhibiting BET proteins, the compound reduces the expression of oncogenic transcription factors such as MYC and modulates B-cell signaling genes including BTK and CCND2.
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| ln Vitro |
In vitro, (rac)-BAY1238097 significantly reduces the viability of cancer cell lines. It shows potent activity against MDA-MB-231 breast cancer cells (IC50 = 0.5 microM) and HCT116 colon cancer cells (IC50 = 0.8 microM), inducing apoptosis. The compound profoundly modulates B-cell signaling genes (e.g., MYC, BTK, CCND2) and upregulates regulators such as CDKN2C and JUN. It is used as a valuable probe for studying BET-dependent oncogenic transcription in cancer research.
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| ln Vivo |
In vivo, (rac)-BAY1238097 has demonstrated strong efficacy in preclinical models. In AML models THP-1, MOLM-13, and KG-1, the compound showed T/C ratios between 13% and 20%. In a multiple myeloma model, it demonstrated superior tumor growth inhibition compared to lenalidomide. The compound is efficacious and well tolerated at 10-15 mg/kg with no obvious toxicity. In mouse models, BAY1238097 effectively slowed tumor growth and prolonged survival. Doses of 35 mg/kg administered twice weekly by oral gavage for 4 weeks were tolerated with body weight losses of 5-9% at nadir.
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| Enzyme Assay |
In vitro BET inhibition assays for (rac)-BAY1238097 measure binding affinity to BRD4 bromodomain. The assay uses recombinant BRD4 bromodomain protein and a fluorescently labeled or AlphaScreen-based probe. Varying concentrations of the compound are incubated with BRD4 protein and probe in assay buffer. After equilibration, binding is detected by fluorescence polarization, time-resolved fluorescence resonance energy transfer (TR-FRET), or AlphaScreen. IC50 values are calculated from dose-response curves using nonlinear regression analysis.
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| Cell Assay |
In vitro cell-based assays for (rac)-BAY1238097 use cancer cell lines including MDA-MB-231 (breast cancer), HCT116 (colon cancer), and various hematological malignancy cell lines. Cells are cultured in appropriate media and treated with varying concentrations of the compound (typically 0.1-10 microM) for 48-72 hours. Cell viability is measured using MTT, XTT, or CellTiter-Glo assays. IC50 values are calculated from dose-response curves. Apoptosis is evaluated using Annexin V/PI staining or caspase-3/7 activity assays. Gene expression changes (MYC, BTK, CCND2, CDKN2C, JUN) are assessed by qPCR or RNA-seq.
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| Animal Protocol |
In vivo animal studies for (rac)-BAY1238097 are conducted in murine xenograft models of hematological malignancies, melanoma, lung cancer, and multiple myeloma. Immunodeficient mice are implanted subcutaneously or orthotopically with cancer cells. When tumors reach a certain size, animals are randomized to receive vehicle control or BAY1238097 at doses of 10-35 mg/kg via oral gavage, administered daily or twice weekly. Tumor volumes are measured with calipers every 2-3 days, and tumor growth inhibition is calculated. Body weight and clinical signs are monitored for toxicity assessment.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (rac)-BAY1238097 have been characterized in preclinical studies. With a molecular weight of 451.56 and a molecular formula of C25H33N5O3, the compound has a LogP of 2.4 and tPSA of 69.6. It is soluble in DMSO (~150 mg/mL). The compound is stored as a powder at -20degC for up to 3 years or in solution at -80degC for up to 6 months. In vivo formulations typically use 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline. Oral bioavailability and other PK parameters can be determined in preclinical species.
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| Toxicity/Toxicokinetics |
(rac)-BAY1238097 is intended for research use only and is not for human therapeutic use. Standard safety precautions for handling chemical compounds apply. The compound is not approved for clinical use. Preclinical toxicity studies have shown that the compound is well tolerated at 10-15 mg/kg with no obvious toxicity, and at 35 mg/kg with body weight losses of 5-9% at nadir.
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| References | |
| Additional Infomation |
(rac)-BAY1238097 is a research-grade BET inhibitor with an IC50 of 1.02 microM for BRD4. Its chemical name is 7,8-dimethoxy-N,4-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide. The compound has a molecular formula of C25H33N5O3 and a molecular weight of 451.56. It has been evaluated in a phase I dose-escalation trial in patients with advanced malignancies. The active S-enantiomer BAY1238097 has shown potent anti-tumor activity in B-cell lymphoma and melanoma models. Not approved for clinical use.
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| Molecular Formula |
C25H33N5O3
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|---|---|
| Molecular Weight |
451.561225652695
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| Exact Mass |
451.258
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| CAS # |
1564268-19-4
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| PubChem CID |
73294353
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
2.4
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
33
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| Complexity |
688
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C)C1C(=CC2C(C3C=CC(=CC=3)N3CCN(C)CC3)=NN(C(NC)=O)C(C)CC=2C=1)OC
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| InChi Key |
CJIPEACKIJJYED-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H33N5O3/c1-17-14-19-15-22(32-4)23(33-5)16-21(19)24(27-30(17)25(31)26-2)18-6-8-20(9-7-18)29-12-10-28(3)11-13-29/h6-9,15-17H,10-14H2,1-5H3,(H,26,31)
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| Chemical Name |
7,8-dimethoxy-N,4-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 : ~150 mg/mL (~332.18 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.54 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 2.5 mg/mL (5.54 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.54 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2145 mL | 11.0727 mL | 22.1455 mL | |
| 5 mM | 0.4429 mL | 2.2145 mL | 4.4291 mL | |
| 10 mM | 0.2215 mL | 1.1073 mL | 2.2145 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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