Physicochemical Properties
| Molecular Formula | C26H40N2O3 |
| Molecular Weight | 428.617 |
| Exact Mass | 428.304 |
| Elemental Analysis | C, 72.86; H, 9.41; N, 6.54; O, 11.20 |
| CAS # | 256955-84-7 |
| Related CAS # | 2487231-94-5 (citrate);256955-84-7; |
| PubChem CID | 9802683 |
| Appearance | Solid powder |
| LogP | 4.488 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 31 |
| Complexity | 700 |
| Defined Atom Stereocenter Count | 8 |
| SMILES | CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CN5C=CN=C5)C)(COC)O |
| InChi Key | BRVGKZNQWCQKTC-MVCIVNJCSA-N |
| InChi Code | InChI=1S/C26H40N2O3/c1-24-10-11-26(30,16-31-3)14-18(24)4-5-19-20-6-7-22(25(20,2)9-8-21(19)24)23(29)15-28-13-12-27-17-28/h12-13,17-22,30H,4-11,14-16H2,1-3H3/t18-,19-,20-,21-,22+,24-,25-,26+/m0/s1 |
| Chemical Name | 1-((3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3-(methoxymethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(1H-imidazol-1-yl)ethan-1-one |
| Synonyms | Posovolone; CO-134444; CO-134444; CO134444; |
| 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 | Against pentylenetetrazol (PTZ)-induced seizures, Co 134444 (0.5-10 mg/kg, i.p., 15 min; 1-60 mg/kg, p.o., 30 min) demonstrated effectiveness in mice. 3.3 mg/kg injected and 9.8 mg/kg taken orally is the ED50 following injection. Parallel to this, protection against maximum electric shock (MES) was noted at 4.8 mg/kg IP and 20.6 mg/kg PO for the ED50. Co134444, with ED50s of 23.6 mg/kg and 25.3 mg/kg, respectively, prevented PTZ-induced seizures and MES-induced seizures in rats (10–40 mg/kg; PO; 30 minutes) [1]. |
| References |
[1]. Behavioral characterization of Co 134444 (3alpha-hydroxy-21-(1'-imidazolyl)-3beta-methoxymethyl-5alpha- pregnan-20-one), a novel sedative-hypnotic neuroactive steroid. Psychopharmacology (Berl). 2001;155(3):285-291. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~233.31 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.83 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3331 mL | 11.6653 mL | 23.3307 mL | |
| 5 mM | 0.4666 mL | 2.3331 mL | 4.6661 mL | |
| 10 mM | 0.2333 mL | 1.1665 mL | 2.3331 mL |