Description

(17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile (CAS: 77881-13-1) is a high-purity steroidal compound with the molecular formula C₂₀H₂₇NO₂. This synthetic androgen derivative features a cyano group at the 17-position, making it a valuable intermediate in pharmaceutical research, particularly for the development of steroidal drugs and hormone modulators. Its structural complexity and defined stereochemistry (8R,9S,10R,13S,14S,17R/S) ensure precise biological activity studies. Suitable for laboratory use only, this compound is rigorously tested for purity via HPLC and NMR, ensuring consistency for advanced research applications. Store under inert conditions at -20°C to maintain stability.

Properties

• CAS Number: 77881-13-1
• Complexity: 643
• IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
• InChI: InChI=1S/C20H27NO2/c1-18-8-5-14(22)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19,23)12-21/h11,15-17,23H,3-10H2,1-2H3/t15-,16+,17+,18+,19+,20+/m1/s1
• InChI Key: JYCSLUASXDFIEL-HLXURNFRSA-N
• Exact Mass: 313.204179104
• Molecular Formula: C20H27NO2
• Molecular Weight: 313.4
• SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C#N)O)C
• Topological: 61.1
• Monoisotopic Mass: 313.204179104
• Synonyms: 77881-13-1, (17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile, (8R,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile, (8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile, 17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile, starbld0031692, SCHEMBL8746789, DTXSID10999072, JYCSLUASXDFIEL-HLXURNFRSA-N, EINECS 278-780-9, AKOS030499559, DB-222499, NS00004204, 17alpha-hydroxy-17-cyano-4-androsten-3-one, EC 278-780-9, 17beta-Cyano-17alpha-hydroxyandrost-4-en-3-one, A865129, (17)-17-Hydroxy-3-oxoandrost-4-en-17-carbonitril

This compound is primarily used in endocrine research to study androgen receptor interactions and steroidogenesis pathways. It serves as a key intermediate in synthesizing modified steroidal therapeutics. Researchers also employ it to investigate enzyme inhibition, particularly in cytochrome P450 studies. Its unique cyano substitution offers insights into steroidal structure-activity relationships.

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