| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
BRD4:166 nM (IC50)
OXFBD04 primarily targets BRD4 (bromodomain-containing protein 4), a member of the bromodomain and extra-terminal (BET) family of epigenetic readers. BRD4 recognizes acetylated lysine residues on histones and plays a critical role in regulating gene transcription. By inhibiting BRD4 with an IC50 of 166 nM, OXFBD04 disrupts BRD4-mediated gene expression, leading to anti-cancer effects. The compound also shows modest affinity for the CREBBP bromodomain. |
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| ln Vitro |
In 48 hours, OXFBD04 (0.01-100 μM) suppresses the development of cancer cell lines[1]. In MCF7 breast cancer cells, OXFBD04 (10 µM) causes MYC suppression for 10, 24, or 48 hours[1].
In vitro, OXFBD04 functions as a potent and selective BRD4 inhibitor with an IC50 of 166 nM. It inhibits the cell growth of cancer cell lines at concentrations ranging from 0.01-100 μM. In MCF7 breast cancer cells, OXFBD04 suppresses MYC expression. The compound is a potent BET bromodomain ligand with additional modest affinity for the CREBBP bromodomain. Its activity is typically evaluated using cell viability and proliferation assays. |
| ln Vivo |
OXFBD04 has strong metabolic stability (t1/2=388 min) and optimal physicochemical qualities (LE=0.43; LLE=5.74; SFI= 5.96). CLint for OXFBD04 is 3.57 µL/min/mg[1].
In vivo, OXFBD04 exhibits anti-cancer activity. As a BRD4 inhibitor, it has potential applications in cancer therapy, particularly in cancers driven by MYC overexpression or other BRD4-dependent pathways. However, specific in vivo efficacy data, including dosing regimens and animal models, are not extensively detailed in the available literature. Further studies are needed to fully characterize its in vivo pharmacological profile. The compound is a research tool for studying epigenetic regulation and cancer biology. |
| Enzyme Assay |
Cell-free assays for OXFBD04 involve evaluating its binding affinity to BRD4 and other bromodomains. Binding assays such as AlphaScreen, fluorescence polarization, or surface plasmon resonance (SPR) are used to determine IC50 or Kd values. The compound's affinity for BRD4 (IC50 = 166 nM) is determined from dose-response curves. Selectivity is assessed by testing against other bromodomains including CREBBP. Chemical purity and identity are confirmed by HPLC and NMR analysis.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: A498 (renal), HT-29 (colon), and MCF7 (breast) cancer cell lines Tested Concentrations: 0.01, 0.1, 1, 10, 100 μM Incubation Duration: 48 hrs (hours) Experimental Results: Inhibited cancer cell lines growth. In vitro cellular assays for OXFBD04 typically involve treating cancer cell lines with various concentrations of the compound (0.01-100 μM). Cells are incubated for defined periods (24-72 hours). Cell viability is assessed using MTT, CellTiter-Glo, or other standard assays. MYC expression is measured by qPCR and western blotting in MCF7 breast cancer cells. Cell cycle analysis and apoptosis assays are performed to evaluate the mechanism of anti-cancer activity. Dose-response curves are generated to determine IC50 values. |
| Animal Protocol |
In vivo animal studies for OXFBD04 are conducted in mouse xenograft models of cancer. The compound is administered via various routes including oral gavage or intraperitoneal injection. Tumor growth is monitored by measuring tumor volume using calipers. MYC expression and other pharmacodynamic markers are assessed in tumor tissues. However, specific dosing regimens and experimental protocols are not extensively documented in the available literature. Standard protocols for evaluating BET inhibitors in xenograft models would typically be employed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of OXFBD04 include a molecular weight of 530.58 g/mol (approximate) and molecular formula C30H29ClN4O3 (approximate). The compound has a purity of ≥99%. As a small molecule, it is expected to have moderate oral bioavailability and tissue penetration. The compound is typically stored at appropriate conditions as a research reagent. Detailed ADME parameters such as half-life, Cmax, and AUC are not extensively reported in the available literature.
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| Toxicity/Toxicokinetics |
The toxicity profile of OXFBD04 has not been extensively characterized in published literature. As a BRD4 inhibitor, potential toxicities may include effects on normal gene transcription and cell proliferation. Standard preclinical safety studies would include acute and sub-chronic toxicity assessments in rodent models. The compound is intended for research use only and not for therapeutic applications in humans. Standard safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
OXFBD04 is a potent and selective BRD4 inhibitor with an IC50 of 166 nM. It is a potent BET bromodomain ligand with modest affinity for the CREBBP bromodomain. OXFBD04 exhibits anti-cancer activity, inhibiting cancer cell proliferation and suppressing MYC expression in MCF7 cells. It is a research tool for studying epigenetic regulation and cancer biology.
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| Molecular Formula |
C17H16N2O3
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|---|---|
| Molecular Weight |
296.320544242859
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| Exact Mass |
296.116
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| CAS # |
2231747-03-6
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| PubChem CID |
145925690
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| Appearance |
White to off-white solid powder
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| LogP |
2.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
22
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| Complexity |
368
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(C(=NO1)C)C2=CC(=CC(=C2)O)C(C3=CN=CC=C3)O
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| InChi Key |
RFDVEAHRRMEOHK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3
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| Chemical Name |
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy(pyridin-3-yl)methyl]phenol
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| Synonyms |
OXFBD04 OXFBD-04
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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 : ≥ 250 mg/mL (~843.68 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.02 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 20.8 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: ≥ 2.08 mg/mL (7.02 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 20.8 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: ≥ 2.08 mg/mL (7.02 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 | 3.3747 mL | 16.8737 mL | 33.7473 mL | |
| 5 mM | 0.6749 mL | 3.3747 mL | 6.7495 mL | |
| 10 mM | 0.3375 mL | 1.6874 mL | 3.3747 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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