| Size | Price | Stock | Qty |
|---|---|---|---|
| 500g |
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| Other Sizes |
| Targets |
The primary targets of 2,4-Di-tert-butylphenol include RXRα (retinoid X receptor alpha), for which it acts as an activator. It also targets the human estrogen receptor as a ligand. The compound activates various RXRα-associated pathways, including LXRα/RXRα and PPARγ/RXRα. It demonstrates bactericidal activity against MRSA and VRE and induces apoptosis in tumor cells. These targets make it relevant for cancer, infectious disease, and neurodegenerative research.
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| ln Vitro |
In vitro, 2,4-Di-tert-butylphenol demonstrates potent bactericidal activity against MRSA and VRE. It induces apoptosis in tumor cells and activates RXRα-associated pathways including LXRα/RXRα and PPARγ/RXRα. The compound exhibits anti-inflammatory and antioxidant activities. It also shows antiviral and antifungal activities and has potential to mitigate Aβ-induced neurotoxicity. These in vitro activities support its use in multiple research areas.
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| ln Vivo |
In vivo, 2,4-Di-tert-butylphenol is orally active and has demonstrated RXRα activation. Its anti-inflammatory and antioxidant activities suggest potential therapeutic applications in inflammatory diseases. The compound's ability to induce apoptosis in tumor cells suggests anticancer potential. However, detailed in vivo efficacy data are limited. Further studies are needed to evaluate its therapeutic potential in animal models of cancer, infection, and neurodegenerative diseases.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 2,4-Di-tert-butylphenol include RXRα and estrogen receptor binding studies. The compound is incubated with receptor preparations at concentrations ranging from 0.1-1000 μM, and binding affinity is determined using radioligand competition or fluorescence polarization assays. RXRα activation is assessed using reporter gene assays. Antibacterial activity is assessed using broth microdilution methods against MRSA and VRE. Antiviral and antifungal activities are evaluated using appropriate assays. All assays include appropriate controls.
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| Cell Assay |
In vitro cell-based assays for 2,4-Di-tert-butylphenol are conducted using cancer cell lines for apoptosis studies, bacterial cultures for antibacterial studies, and neuronal cells for neurotoxicity studies. Cells are treated with compound concentrations ranging from 0.1-1000 μM for 24-72 hours. Cell viability is assessed using MTT assays. Apoptosis is evaluated by annexin V/PI staining and caspase activity assays. RXRα activation is assessed using reporter gene assays. Antibacterial activity is measured by MIC determination. Experiments include vehicle controls and positive controls.
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| Animal Protocol |
In vivo animal studies with 2,4-Di-tert-butylphenol are limited, as the compound is primarily used as a research tool. Anticancer studies may be conducted in mouse xenograft models. Anti-inflammatory studies may be conducted in models of inflammation. Neuroprotection studies may be conducted in models of Alzheimer's disease. The compound is administered via oral or intraperitoneal routes at doses ranging from 1-50 mg/kg. Each group consists of 6-10 animals with vehicle-treated controls.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2,4-Di-tert-butylphenol have not been extensively characterized. As a small, lipophilic molecule (MW 206.33, C14H22O), it is expected to have good oral bioavailability and tissue distribution. The compound is orally active and likely undergoes hepatic metabolism through oxidation and conjugation, with elimination via biliary and renal excretion. Detailed PK parameters such as half-life, Cmax, and AUC require further investigation.
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| Toxicity/Toxicokinetics |
Toxicological data for 2,4-Di-tert-butylphenol indicate that it is generally well-tolerated at concentrations used for research. The compound is a bacterial metabolite and antioxidant. However, comprehensive toxicological studies have not been conducted. As with all research chemicals, appropriate safety precautions should be taken during handling, and the compound should be used only for research purposes.
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| References | |
| Additional Infomation |
2,4-Di-tert-butylphenol belongs to the phenolic class of compounds, with tert-butyl substituents at positions 2 and 4. It is a bacterial metabolite, an antioxidant, and a marine metabolite. It is an alkylbenzene and a member of the phenolic class. 2,4-Di-tert-butylphenol has been reported to be found in Streptomyces antioxidans, Bacillus subtilis, and other organisms with relevant data.
2,4-Di-tert-butylphenol (2,4-DTBP) is an orally active RXRα activator and human estrogen receptor ligand with anti-inflammatory and antioxidant activities. It induces apoptosis in tumor cells and demonstrates potent bactericidal activity against MRSA and VRE. The compound also exhibits antiviral, antifungal, and neuroprotective activities. It is used in research on cancer, infectious diseases, and neurodegeneration. Not approved for clinical therapeutic use; intended for research purposes only. |
| Molecular Formula |
C₁₄H₂₂O
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|---|---|
| Molecular Weight |
206.32
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| Exact Mass |
206.167
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| CAS # |
96-76-4
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| PubChem CID |
7311
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| Appearance |
Off-white to light yellow solid powder
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
265.5±9.0 °C at 760 mmHg
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| Melting Point |
53-56 °C(lit.)
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| Flash Point |
115.0±0.0 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.499
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| LogP |
4.86
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
15
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| Complexity |
206
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ICKWICRCANNIBI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
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| Chemical Name |
2,4-ditert-butylphenol
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| Synonyms |
2,4Ditertbutylphenol; 2,4 Di tert butylphenol
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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 (~484.68 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.12 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 (12.12 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 (12.12 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 | 4.8468 mL | 24.2342 mL | 48.4684 mL | |
| 5 mM | 0.9694 mL | 4.8468 mL | 9.6937 mL | |
| 10 mM | 0.4847 mL | 2.4234 mL | 4.8468 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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