Physicochemical Properties
| Molecular Formula | C27H46O3 |
| Molecular Weight | 418.652348995209 |
| Exact Mass | 418.344 |
| CAS # | 64907-22-8 |
| PubChem CID | 11954197 |
| Appearance | White to off-white solid powder |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 548.5±35.0 °C at 760 mmHg |
| Melting Point | 235 - 236 °C |
| Flash Point | 230.5±20.5 °C |
| Vapour Pressure | 0.0±3.3 mmHg at 25°C |
| Index of Refraction | 1.550 |
| LogP | 5.75 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 30 |
| Complexity | 669 |
| Defined Atom Stereocenter Count | 9 |
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C |
| InChi Key | BQMSKLCEWBSPPY-IKVTXIKFSA-N |
| InChi Code | InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1 |
| Chemical Name | (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol |
| 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 | At a half-maximum effective concentration of roughly 500 pM, 7α,25-dihydroxycholesterol (7α,25-OHC) externally increases the migration of B and T cells in EBI2-expressing animals, but has no impact on EBI2-deficient cells [1]. |
| ln Vivo | Restoring 7α,25-dihydroxycholesterol (1 μM; 1.5 hours) makes normal or EBI2-deficient B cells less homing to splenic follicular regions, desensitizing them [1]. |
| References |
[1]. Oxysterols direct B-cell migration through EBI2. Nature. 2011 Jul 27;475(7357):519-23. [2]. Oxysterols direct immune cell migration via EBI2. Nature. 2011 Jul 27;475(7357):524-7. |
| Additional Infomation |
7alpha,25-dihydroxycholesterol is a 7alpha-hydroxy steroid, a 25-hydroxy steroid, an oxysterol and a 3beta-hydroxy-Delta(5)-steroid. It has a role as a human metabolite. It is functionally related to a cholesterol. 7alpha,25-Dihydroxycholesterol has been reported in Homo sapiens with data available. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~4.55 mg/mL (~10.87 mM) Ethanol :< 1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (11.94 mM) in 15% Cremophor EL 85% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3886 mL | 11.9432 mL | 23.8863 mL | |
| 5 mM | 0.4777 mL | 2.3886 mL | 4.7773 mL | |
| 10 mM | 0.2389 mL | 1.1943 mL | 2.3886 mL |