Physicochemical Properties
| Molecular Formula | C21H30O8S.NA |
| Molecular Weight | 464.50500 |
| Exact Mass | 464.148 |
| CAS # | 1852-36-4 |
| Related CAS # | Cortisol sulfate;1253-43-6 |
| PubChem CID | 23674504 |
| Appearance | White to off-white solid powder |
| LogP | 2.346 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 31 |
| Complexity | 911 |
| Defined Atom Stereocenter Count | 7 |
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COS(=O)(=O)[O-])O)C)O.[Na+] |
| InChi Key | DJKQHUMDQFOLHE-WDCKKOMHSA-M |
| InChi Code | InChI=1S/C21H30O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H,26,27,28);/q;+1/p-1/t14-,15-,16-,18+,19-,20-,21-;/m0./s1 |
| Chemical Name | sodium;[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] sulfate |
| 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: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 Vivo | By directly affecting the central nervous system, cortisol sulfate sodium (3 mg; IM; every other day; for 2–7 weeks) has an impact on behavior [4]. |
| References |
[1]. Simultaneous metabolism of cortisol sulfate and cortisol in normal human adults. J Clin Endocrinol Metab. 1970 Oct;31(4):439-44. [2]. Enzymatic sulfation of steroids: I. The enzymatic basis for the sex difference in cortisol sulfation by rat liver preparations. Endocrinology. 1976 Apr;98(4):963-74. [3]. Cortisol-21-sulfate (FS) is a specific ligand for intracellular transcortin: demonstration of three types of high affinity corticosteroid binders in bovine aortic cytosol by a combined use of FS and RU 28362. Endocrinology. 1990 Jan;126(1):307-16. [4]. Behavioral and other systemic effects of cortisol-21 sulfate. Horm Behav. 1972 Sep;3(3):227-36. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~215.29 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.38 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 (5.38 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 (5.38 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 | 2.1528 mL | 10.7640 mL | 21.5281 mL | |
| 5 mM | 0.4306 mL | 2.1528 mL | 4.3056 mL | |
| 10 mM | 0.2153 mL | 1.0764 mL | 2.1528 mL |