2697127-16-33-Deoxy-3-acetylabiraterone-3-ene

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Catalogue No.:	VE006955
CAS No.:	2697127-16-3
Mol. Formula:	C26H31NO
Mol. Weight:	373.53g/mol

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Additional information on CAS 2697127-16-3

Parent drug

Abiraterone

IUPAC Name

1-[17-(Pyridin-3-yl)androsta-3,5,16-trien-3-yl]ethanone

Synonyms

N/A

Pharmacopeial Synonyms

N/A

Smiles

CC(C(CC[C@]1(C)C2CC3)=CC1=CCC2C4CC=C(C5=CC=CN=C5)[C@]43C)=O

InChI

InChI=1S/C26H31NO/c1-17(28)18-10-12-25(2)20(15-18)6-7-21-23-9-8-22(19-5-4-14-27-16-19)26(23,3)13-11-24(21)25/h4-6,8,14-16,21,23-24H,7,9-13H2,1-3H3/t21?,23?,24?,25-,26+/m0/s1

Description

3-Deoxy-3-acetylabiraterone-3-ene (CAS 2697127-16-3) is a steroidal process-related impurity associated with the abiraterone scaffold, characterized by loss of the 3-hydroxyl function, acetylation at C-3, and unsaturation at the 3-ene position. Its molecular formula, C26H31NO, and molecular weight, 373.53 g/mol, reflect a lipophilic nitrogen-containing oxidized derivative rather than a simple degradation product. Formation is typically attributed to synthetic side reactions during protection, deprotection, or acyl-transfer steps. Structural assignment and quantification generally require LC-MS/MS with chromatographic resolution from closely related steroids, often supported by HRMS and NMR characterization under impurity profiling frameworks.

References

Goldberg, Tamara, and Evangelina Berrios-Colon. â€œAbiraterone (Zytiga), a Novel Agent for the Management of Castration-Resistant Prostate Cancer.â€ Pharmacy and Therapeutics, vol. 38, no. 1, 1 Jan. 2013, pp. 23â€“26, www.ncbi.nlm.nih.gov/pmc/articles/PMC3628169/. Accessed 31 Jan. 2022.