New abiraterone analogue with atypical position of N-heterocyclic substituent: synthesis, crystal structure and CYP17A1/CYP3A4 binding affinity

Atypical steroid-like analogue of abiraterone, an inhibitor of androgen biosynthesis, was synthesized and characterized by X-ray diffraction analysis. The in vitro study of the compound by differential spectrophotometric titration revealed its ability to bind to truncated CYP17A1 (∆2-19 variant) in a type II fashion through nitrogen coordination with lower affinity than that of abiraterone, but still in nanomolar concentration range (KD ≈ 187 nm). The significant spectral response (∆Amax) value suggests that the new compound effectively targets the conformational ensemble of CYP17A1 accessible for ligand binding.

• Publication year

  2026

• Venue

  Mendeleev communications (Print)

• Publication date

  Unknown publication date

• Fields of study

  Not labeled

• Identifiers
  DOI 10.71267/mencom.7900
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  Open on Semantic Scholar

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  Semantic Scholar

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