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| Targets |
β-Tocotrienol does not have a defined biological target, as it is a vitamin E isomer with pleiotropic effects. Tocotrienols exhibit strong antioxidative activity by scavenging lipid peroxyl radicals. They also have anti-angiogenic, anticancer, and anti-hyperlipidemic qualities. β-Tocotrienol has been shown to inhibit the growth of cancer cells. The compound's mechanisms of action include antioxidant activity, modulation of cell signaling pathways, and induction of apoptosis.
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| ln Vitro |
In vitro, β-tocotrienol inhibits the growth of both A549 (GI₅₀ = 1.38 ± 0.334 µM) and U87MG (GI₅₀ = 2.53 ± 0.604 µM) cells at rather low concentrations. It can serve as a new anticancer agent for treating human lung and brain cancers. β-Tocotrienol has anti-carcinogenic effects in vitro on human colon carcinoma and prostate cancer cells. It also exhibits anti-inflammatory and neuroprotective effects.
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| ln Vivo |
β-Tocotrienol is not a pharmacologically approved drug but has been studied for its potential health benefits. A high cholesterol diet supplemented with a mixture of α- and β-tocopherols and tocotrienols has been shown to lower hepatic cholesterol and cholesterol ester concentration and to reduce atherosclerotic lesions in ApoE+/- mice. Tocotrienols have demonstrated anticancer activity in animal models. The compound has not been approved for therapeutic use.
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| Enzyme Assay |
In vitro assays for β-tocotrienol typically involve cell viability and proliferation assays. A standard protocol involves culturing cancer cells (e.g., A549 lung cancer cells or U87MG brain cancer cells) in 96-well plates and treating them with varying concentrations of β-tocotrienol (typically 0.1-100 µM) for 48-72 hours. Cell viability is assessed using MTT or CellTiter-Glo assays. GI₅₀ values are calculated from dose-response curves. Antioxidant activity is measured using DPPH or ABTS radical scavenging assays.
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| Cell Assay |
In vitro cell culture experiments with β-tocotrienol typically involve cancer cell lines such as A549 (lung cancer) or U87MG (brain cancer). Cells are cultured in appropriate media and treated with the compound at concentrations ranging from 0.1-100 µM for 24-72 hours. Cell viability is assessed using MTT or CellTiter-Glo assays. Apoptosis is measured using Annexin V/PI staining or caspase activity assays. The compound is dissolved in DMSO and diluted in culture medium.
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| Animal Protocol |
In vivo animal studies with β-tocotrienol are conducted to study its anticancer and lipid-lowering effects. A typical protocol involves administering the compound orally to rodents at doses ranging from 10-100 mg/kg daily for 2-4 weeks. For anticancer studies, tumor xenograft models are used, and tumor volume is measured. For lipid-lowering studies, blood samples are collected for cholesterol and lipid analysis. A high cholesterol diet supplemented with a mixture of α- and β-tocopherols and tocotrienols has been studied.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of β-tocotrienol are not fully characterized. As a lipophilic compound, it is absorbed with dietary fats and transported in lipoproteins. Tocopherols, common substituents of over-the-counter vitamin E supplements, interfere with tocotrienol activity and show weaker antioxidative effects. The compound has a pKa of 11.05 and a density of 0.964 g/cm³. β-Tocotrienol should be stored at -20°C.
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| Toxicity/Toxicokinetics |
β-Tocotrienol is generally considered safe as a vitamin E isomer. Standard laboratory precautions should be followed when handling the compound, including the use of gloves and safety glasses. The compound should be stored in a cool, dry place away from light and moisture. No acute toxicity data are available. The compound is not intended for drug, household, or other uses.
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| References |
[1]. A Kamal-Eldin, et al. The Chemistry and Antioxidant Properties of Tocopherols and Tocotrienols. Lipids. 1996 Jul;31(7):671-701.
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| Additional Infomation |
β-Tocotrienol is a tocotrienol with the structure chroman-6-ol, substituted with methyl groups at positions 2, 5, and 8, and a farnesyl chain attached at position 2. It has been isolated from various wheat varieties. β-Tocotrienol acts as a plant metabolite, an antitumor agent, and an apoptosis inducer. It is a tocotrienol and also a form of vitamin E. It has been reported to exist in hybrid amaranth (Amaranthus hybridus), blood amaranth (Amaranthus cruentus), and other organisms with relevant data.
β-Tocotrienol is a naturally occurring isomer of vitamin E belonging to the tocotrienol subfamily. It is isolated from the stem bark of Garcinia virgata and from wheat germ oil and bran. β-Tocotrienol exhibits strong antioxidative, anti-angiogenic, anticancer, and anti-hyperlipidemic properties. It has not undergone clinical trials and is not approved as a pharmaceutical. |
| Molecular Formula |
C28H42O2
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|---|---|
| Molecular Weight |
410.63
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| Exact Mass |
410.318
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| CAS # |
490-23-3
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| PubChem CID |
5282348
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| Appearance |
Colorless to light yellow liquid（Density：0.964±0.06 g/cm3）
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
528.8±49.0 °C at 760 mmHg
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| Flash Point |
217.0±24.1 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.523
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| LogP |
10.3
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
30
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| Complexity |
625
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O1C2C(C([H])([H])[H])=C([H])C(=C(C([H])([H])[H])C=2C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H])O[H]
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| InChi Key |
FGYKUFVNYVMTAM-WAZJVIJMSA-N
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| InChi Code |
InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
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| Chemical Name |
(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
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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 and light. |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4353 mL | 12.1764 mL | 24.3528 mL | |
| 5 mM | 0.4871 mL | 2.4353 mL | 4.8706 mL | |
| 10 mM | 0.2435 mL | 1.2176 mL | 2.4353 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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