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| Targets |
(±)-α-Tocopherol nicotinate targets oxidative stress and lipid peroxidation. As a vitamin E derivative, it acts as a potent antioxidant, protecting cell membranes from damage caused by free radicals. It also acts as a prodrug for both vitamin E and niacin. After hydrolysis in the blood, it releases α-tocopherol, which provides antioxidant protection, and niacin, which has various metabolic effects, including vasodilation and lipid modulation. The compound has been shown to dilate coronary vessels and increase blood flow without increasing the oxygen consumption of cardiac muscle.
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| ln Vitro |
(±)-α-Tocopherol nicotinate reduces lipid peroxidative stress in red blood cell membranes, enhances hemorrheology, and improves red blood cell deformability, all of which can help patients with type 2 diabetes slow down the development of microvascular illness [1]. (±)-alpha-tocopheryl nicotinate, or vitamin E, at 2 μg/mL for a full day. Thymic epithelial cell line IT45-R1 is pretreated, and immature T cells are subsequently cultured to enhance CD4+ in thymocytes. share of CD8-T cells [2].
In vitro, (±)-α-Tocopherol nicotinate functions as a fat-soluble antioxidant, preventing lipid peroxidation in cell membranes. Its activity is attributed to the release of α-tocopherol, which scavenges free radicals and protects cells from oxidative damage. The compound is used in research to study the effects of vitamin E and niacin on cellular processes. Its antioxidant properties make it a valuable tool for investigating oxidative stress-related diseases. |
| ln Vivo |
(±)-alpha-tocopherol nicotinate (Vit E) (50 mg/kg or 585 mg/kg, for seven weeks) in animal diet when compared to a low dosage treatment of 50 mg/kg, the high dose concentration of 585 mg/kg dramatically increases the proportion of CD4+CD8- T cells and ICAM- in the thymus 1 expression in epithelial cells (TEC) recovered from male Fisher rats [2].
In vivo, (±)-α-Tocopherol nicotinate is an orally active compound that is hydrolyzed in the blood to α-tocopherol and niacin. It has been studied for its biological functions in rats. In animal feeding studies, it significantly increased the proportion of CD4+CD8- T cells and the expression of ICAM-1 in thymic epithelial cells (TECs) isolated from male Fisher rats at high dose concentrations (585 mg/kg) compared to low dose treatment (50 mg/kg). It has also been shown to dilate coronary vessels and increase blood flow without increasing cardiac oxygen consumption. |
| Enzyme Assay |
In vitro experiments with (±)-α-Tocopherol nicotinate typically involve its use as an antioxidant in cell culture models. Cells are treated with the compound to assess its protective effects against oxidative stress. The compound is dissolved in an appropriate solvent (e.g., ethanol or DMSO) and diluted in cell culture medium. Lipid peroxidation is measured by assessing the levels of malondialdehyde (MDA) or other oxidative stress markers. The compound's effects on cell viability and signaling pathways can also be studied. The compound is also used in metabolic studies to assess its biological functions.
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| Cell Assay |
In vitro cell-based assays using (±)-α-Tocopherol nicotinate are performed to study its antioxidant and metabolic effects. Cells are seeded in multi-well plates and treated with the compound at concentrations ranging from 1-100 µM for 24-72 hours. Oxidative stress is induced using agents like hydrogen peroxide or tert-butyl hydroperoxide, and the compound's protective effects are assessed by measuring cell viability, ROS levels, and lipid peroxidation. The compound's effects on gene expression related to antioxidant defense and inflammation can also be studied using qPCR or Western blotting. The compound is typically dissolved in ethanol or DMSO and diluted in cell culture medium.
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| Animal Protocol |
In vivo animal experiments with (±)-α-Tocopherol nicotinate have been conducted in rats. In one study, male Fisher rats were fed a diet containing the compound at doses of 50 mg/kg or 585 mg/kg for 7 weeks. After treatment, thymic epithelial cells (TECs) were isolated, and the proportion of CD4+CD8- T cells and the expression of ICAM-1 were measured. The high dose (585 mg/kg) significantly increased both parameters compared to the low dose (50 mg/kg). The compound has also been used in studies related to vascular diseases.
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| ADME/Pharmacokinetics |
Dosing formulations for (±)-α-Tocopherol nicotinate in animal studies typically involve mixing the compound with the diet or administering it orally. The compound is a fat-soluble vitamin and is absorbed with dietary fats. Its pharmacokinetic properties are characterized by its hydrolysis to α-tocopherol and niacin in the blood. The released α-tocopherol is then distributed to tissues, where it exerts its antioxidant effects. The compound's half-life and other PK parameters would depend on the formulation and the animal species.
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| Toxicity/Toxicokinetics |
Toxicity Summary
It is safe at the current usage and concentration. Ingredient, concentration, and usage information can be found at: https://cir-reports.cir-safety.org Specific toxicological data for (±)-α-Tocopherol nicotinate are not extensively provided in the available sources. As a vitamin E derivative, it is likely to have a relatively low toxicity profile. However, at very high doses, vitamin E and niacin can have adverse effects. As a research chemical, it is intended for laboratory use only and is not for human consumption. Standard laboratory safety precautions should be followed when handling this compound. |
| References |
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| Additional Infomation |
Tocopheryl nicotinate is a type of tocopherol.
(±)-α-Tocopherol nicotinate is a fat-soluble vitamin E derivative and an ester of tocopherol and niacin. It has the molecular formula C35H53NO3. The compound is an orally active, fat-soluble antioxidant that prevents lipid peroxidation in cell membranes. It is hydrolyzed in the blood to α-tocopherol and niacin and may be used in studies of related vascular diseases. It has been shown to dilate coronary vessels and increase blood flow. In animal studies, it has been used to assess its biological functions in rats. The compound is intended for research use only and is not for human consumption. |
| Molecular Formula |
C35H53NO3
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| Molecular Weight |
535.8
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| Exact Mass |
535.402
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| CAS # |
51898-34-1
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| PubChem CID |
27990
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
649.0±55.0 °C at 760 mmHg
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| Flash Point |
346.3±31.5 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.514
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| LogP |
13.23
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
15
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| Heavy Atom Count |
39
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| Complexity |
725
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| Defined Atom Stereocenter Count |
3
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| SMILES |
CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C3=CN=CC=C3)C
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| InChi Key |
MSCCTZZBYHQMQJ-AZAGJHQNSA-N
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| InChi Code |
InChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3/t25-,26-,35-/m1/s1
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| Chemical Name |
[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate
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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 : ~10 mg/mL (~18.66 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (1.87 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: 1 mg/mL (1.87 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 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: ≥ 1 mg/mL (1.87 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 | 1.8664 mL | 9.3318 mL | 18.6637 mL | |
| 5 mM | 0.3733 mL | 1.8664 mL | 3.7327 mL | |
| 10 mM | 0.1866 mL | 0.9332 mL | 1.8664 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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