Physicochemical Properties
| Molecular Formula | C35H53NO3 |
| Molecular Weight | 535.8 |
| Exact Mass | 535.402 |
| CAS # | 51898-34-1 |
| PubChem CID | 27990 |
| Appearance | White to off-white solid powder |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 649.0±55.0 °C at 760 mmHg |
| Flash Point | 346.3±31.5 °C |
| Vapour Pressure | 0.0±1.9 mmHg at 25°C |
| Index of Refraction | 1.514 |
| LogP | 13.23 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 15 |
| Heavy Atom Count | 39 |
| Complexity | 725 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
| InChi Key | MSCCTZZBYHQMQJ-AZAGJHQNSA-N |
| 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 |
| Chemical Name | [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate |
| HS Tariff Code | 2934.99.9001 |
| 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) |
Biological Activity
| 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]. |
| 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]. |
| References |
[1]. Reducing lipid peroxidation stress of erythrocyte membrane by alpha-tocopherol nicotinate plays an important role in improving blood rheological properties in type 2 diabetic patients with retinopathy. Diabet Med. 1998 May;15(5):380-5. [2]. Vitamin E enhances T cell differentiation through increased epithelial cell function in rat thymus,Nutrition Research,Volume 17, Issue 5,1997,Pages 873-883. |
| Additional Infomation | Tocopheryl nicotinate is a tocol. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~10 mg/mL (~18.66 mM) |
| 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. 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. 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 corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| 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 |