11α-Hydroxyandrosta -1,4-dien-3,17-dione (cas 7801-18-5)
11α-Hydroxyandrosta-1,4-diene-3,17-dione Comprehensive Information Table
| Category | Details |
|---|---|
| Chemical Name | (11α)-11-Hydroxyandrosta-1,4-dien-3,17-dione |
| CAS Number | 7801-18-5 |
| Synonyms | 11-Hydroxy-1,4-androstadiene-3,17-dione; 11α-Hydroxyandrosta-1,4-dien-3,17-dione; Androsta-1,4-diene-3,17-dione,11-hydroxy-, (11α)- |
| Chemical Formula | C₁₉H₂₄O₃ |
| Molecular Weight | 300.39 |
| EINECS Number | 232-256-6 |
| Melting Point | 190–192°C |
| Boiling Point | 479.0 ± 45.0°C (predicted) |
| Density | 1.21 ± 0.1 g/cm³ (predicted) |
| pKa | 14.39 ± 0.60 (predicted) |
| Appearance | White to off-white solid |
| Solubility | Sparingly soluble in chloroform, DMSO, and methanol (sonicated) |
| Optical Activity | [α]²⁵/D +190° ±5° (c = 1 in chloroform) |
| Applications | Pharmaceutical Intermediate: Key metabolite of testosterone; used in anti-osteoporosis drug development. Research Use: Steroid hormone metabolism studies. |
| Quality Control | – HPLC: C18 column, methanol-water (60:40) mobile phase, UV detection at 240 nm. – Impurity Limits: ≤0.5% total impurities. |
| Synthesis Pathway | 1. Hydroxylation: Introduction of 11α-hydroxyl group via microbial or chemical methods (e.g., Trichoderma hamatum enzymatic transformation). 2. Isolation: Crystallization from organic solvents. |
| Key Suppliers | – J & K Scientific (Tel: 010-82848833, China) – Shenzhen Polymeri Biochemical (Tel: 13296077563, China) – Shanghai T&W Pharmaceutical (Tel: 021-61551413, China) |
| Safety Information | Risk Statements: R36/37/38 (irritating to eyes, respiratory system, skin) Precautionary Measures: S22 (Avoid inhalation), S24/25 (Avoid contact) |
| MSDS | Available from suppliers |
Supplementary Notes
- Structural Features:
- Contains an 11α-hydroxyl group on an androstane skeleton. The α-stereochemistry at C11 is critical for androgen receptor binding.
- Acts as a metabolic intermediate of testosterone, involved in steroid hormone biosynthesis pathways.
- Synthesis Challenges:
- Requires enzymatic or chemical hydroxylation at C11α without altering the 3-keto or 17-keto groups.
- Purification via crystallization requires optimization to avoid solvent-induced decomposition.
- Applications in Medicine:
- Anti-osteoporosis: Investigated as a precursor for bisphosphonate-like drugs targeting bone resorption.
- Hormone Therapy: Potential use in androgen replacement therapies or metabolic disease management.
- Regulatory Status:
- Compliant with EP and USP standards; regulated under pharmaceutical GMP guidelines.
For detailed toxicological data or formulation protocols, consult specialized pharmacological references (e.g., PubChem, ChemSpider).
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