Physicochemical Properties
| Molecular Formula | C19H28O |
| Molecular Weight | 272.43 |
| Exact Mass | 272.214 |
| CAS # | 23062-06-8 |
| PubChem CID | 9925482 |
| Appearance | Typically exists as solid at room temperature |
| LogP | 4.476 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 20 |
| Complexity | 476 |
| Defined Atom Stereocenter Count | 6 |
| SMILES | O([H])C1([H])C([H])=C2C([H])([H])C([H])([H])[C@]3([H])[C@@]4([H])C([H])([H])C([H])=C([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H] |
| InChi Key | NYVFCEPOUVGTNP-DYKIIFRCSA-N |
| InChi Code | InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,12,14-17,20H,4-8,10-11H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 |
| Chemical Name | (3S,8S,9S,10R,13R,14S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 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
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion Absorbed following nasal administration. |
| References | [1]. Clive L. Jennings-White, et al. Steroids as neurochemical stimulators of the vno to alleviate symptoms of anxiety. Patent WO1998014194A1. |
| Additional Infomation |
PH94B is being developed by Pherin Pharmaceuticals, Inc. for the treatment of social phobias (generalized anxiety disorder). It is a member of a new family of pharmaceutical compounds called vomeropherins. Drug Indication Intended for the acute treatment of social phobia. Mechanism of Action There is little information available on the mechanism of action of vomeropherins. These compounds are delivered to the nasal passages and bind to chemoreceptors that in turn affect the hypothalamus and the limbic system. Pharmacodynamics Vomeropherin compounds are directly delivered to the nasal passages using either a metered nasal spray or a metered nasal aerosol. By virtue of the chemoreceptor’s location in the nasal passages, direct connections to the hypothalamus and limbic system and the ability of our compounds to act locally, vomeropherins do not need to achieve systemic absorption and distribution. This provides a significant therapeutic advantage over traditional therapeutics targeted at the hypothalamus and limbic system that require access to systemic circulation and must cross the blood-brain barrier followed by uptake into the brain to exert effects. |
Solubility Data
| Solubility (In Vitro) | DMSO: 25 mg/mL (91.77 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (3.67 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 | 3.6707 mL | 18.3533 mL | 36.7067 mL | |
| 5 mM | 0.7341 mL | 3.6707 mL | 7.3413 mL | |
| 10 mM | 0.3671 mL | 1.8353 mL | 3.6707 mL |