| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
BRD4 (Bromodomain-containing protein 4), specifically the first bromodomain (BRD4 BD1). Naringenin triacetate exhibits good binding affinity with multiple crystal structures of BRD4 BD1. It binds to the Nac binding site of the BRD4 BET family protein BD1.
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|---|---|
| ln Vitro |
Naringenin triacetate exhibits good binding affinity with multiple crystal structures of the first bromodomain of BRD4 (BRD4 BD1). It shows better binding affinity when compared with known inhibitors. The compound is a flavonoid with potential as a BRD4 inhibitor.
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| ln Vivo |
No specific in vivo activity data is available for Naringenin triacetate. As a BRD4-binding compound, it may have potential for in vivo studies in cancer models given the role of BRD4 in transcriptional regulation and oncogenesis. However, such studies have not been reported in the available literature.
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| Enzyme Assay |
In vitro binding assays for Naringenin triacetate typically involve surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) to measure binding affinity to BRD4 BD1. Crystal structures of the compound bound to BRD4 BD1 have been solved. Competition binding assays using fluorescently labeled probes may also be used to determine binding affinity and selectivity.
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| Cell Assay |
The in vitro cellular activity of Naringenin triacetate can be evaluated in cell lines expressing BRD4. Cells are treated with the compound, and effects on BRD4 target gene expression are measured by qRT-PCR or Western blot. Cell proliferation assays (MTT, CCK-8) can be used to assess anti-proliferative effects. The compound's ability to displace BRD4 from chromatin can be assessed using cellular thermal shift assays (CETSA) or chromatin immunoprecipitation (ChIP).
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| Animal Protocol |
No specific in vivo animal experimental protocols are available for Naringenin triacetate. Based on its BRD4-binding properties, potential in vivo studies would involve xenograft mouse models where tumor-bearing mice are administered the compound via oral gavage or intraperitoneal injection. Dosing regimens and endpoints would be determined based on the specific study objectives.
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| ADME/Pharmacokinetics |
No specific pharmacokinetic data is available for Naringenin triacetate. As a derivative of naringenin with improved lipid solubility and bioavailability, it is expected to have better oral absorption compared to the parent compound. Molecular weight: 398.37, formula: C21H18O8.
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| Toxicity/Toxicokinetics |
No specific toxicological data is available for Naringenin triacetate. As a flavonoid derivative, it is expected to have relatively low toxicity, though this has not been formally evaluated in preclinical studies. Standard laboratory safety precautions should be observed.
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| References | |
| Additional Infomation |
Naringenin triacetate is a flavonoid isolated from plants that exhibits good binding affinity with BRD4 BD1. It is a derivative of naringenin with improved lipid solubility and bioavailability. The compound binds to the Nac binding site of the BRD4 BET family protein BD1. It is not approved for clinical use and is intended for research purposes only.
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| Molecular Formula |
C21H18O8
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|---|---|
| Molecular Weight |
398.3628
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| Exact Mass |
398.1
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| CAS # |
3682-04-0
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| PubChem CID |
14354984
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
586.4±50.0 °C at 760 mmHg
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| Flash Point |
256.6±30.2 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.569
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| LogP |
2.14
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
29
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| Complexity |
651
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(=O)OC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C
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| InChi Key |
HQZXCNZZVRAEPO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H18O8/c1-11(22)26-15-6-4-14(5-7-15)18-10-17(25)21-19(28-13(3)24)8-16(27-12(2)23)9-20(21)29-18/h4-9,18H,10H2,1-3H3
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| Chemical Name |
[4-(5,7-diacetyloxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] acetate
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~251.03 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.28 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 (6.28 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 (6.28 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 | 2.5103 mL | 12.5515 mL | 25.1029 mL | |
| 5 mM | 0.5021 mL | 2.5103 mL | 5.0206 mL | |
| 10 mM | 0.2510 mL | 1.2551 mL | 2.5103 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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