-25-hydroxyvitamin D3 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C30H51NO2 |
| Molecular Weight | 457.7314 |
| Exact Mass | 457.392 |
| CAS # | 163018-26-6 |
| Related CAS # | 27460-33-9 (Chol-5-en-24-al-3β-ol); 29261-12-9 (25,26-Dihydroxyvitamin D3) |
| PubChem CID | 12020395 |
| Appearance | White to off-white solid powder |
| LogP | 7.807 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 33 |
| Complexity | 721 |
| Defined Atom Stereocenter Count | 5 |
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OCCCN)C |
| InChi Key | RAIPMHBURQASRR-BAUWAPLESA-N |
| InChi Code | InChI=1S/C30H51NO2/c1-22-11-14-26(33-20-8-19-31)21-25(22)13-12-24-10-7-18-30(5)27(15-16-28(24)30)23(2)9-6-17-29(3,4)32/h12-13,23,26-28,32H,1,6-11,14-21,31H2,2-5H3/b24-12+,25-13-/t23-,26+,27-,28+,30-/m1/s1 |
| Chemical Name | (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-(3-aminopropoxy)-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol |
| Synonyms | 3-O-(2-Aminoethyl)-25-hydroxyvitamin D3 |
| 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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.(3). This product is not stable in solution, please use freshly prepared working solution for optimal results. |
| 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
| Targets | Vitamin D/Vitamin D receptor |
| ln Vitro | 3-O-(2-Aminoethyl)-25-hydroxyvitamin D3 is a 25-hydroxyvitamin D3 derivative[1]. |
| References |
[1]. Aminopropylation of vitamin D hormone (1α,25-dihydroxyvitamin D3), its biological precursors, and other steroidal alcohols: an anchoring moiety for affinity studies of sterols. Steroids (1995), 60(8), 530-3. |
| Additional Infomation | 3'-O-Aminopropyl-25-hydroxyvitamin D3 is a vitamin D. |
Solubility Data
| Solubility (In Vitro) | DMSO: ≥ 100 mg/mL (~218.5 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.46 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 (5.46 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (5.46 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 25.0 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 | 2.1847 mL | 10.9235 mL | 21.8469 mL | |
| 5 mM | 0.4369 mL | 2.1847 mL | 4.3694 mL | |
| 10 mM | 0.2185 mL | 1.0923 mL | 2.1847 mL |