Discovery of diarylhydantoins as new selective androgen receptor modulators

J Med Chem. 2012 Oct 11;55(19):8225-35. doi: 10.1021/jm300249m. Epub 2012 Sep 25.

Abstract

A novel selective androgen receptor modulator scaffold has been discovered through structural modifications of hydantoin antiandrogens. Several 4-(4-hydroxyphenyl)-N-arylhydantoins displayed partial agonism with nanomolar in vitro potency in transactivation experiments using androgen receptor (AR) transfected cells. In a standard castrated male rat model, several compounds showed good anabolic activity on levator ani muscle, dissociated from the androgenic activity on ventral prostate, after oral dosing at 30 mg/kg. (+)-4-[3,4-Dimethyl-2,5-dioxo-4-(4-hydroxyphenyl)imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile ((+)-11b) displayed anabolic potency with a strong dissociation between levator ani muscle and ventral prostate (A(50) = 0.5 mg/kg vs 70 mg/kg). The binding modes of two compounds, including (+)-11b, within the AR ligand-binding domain have been studied by cocrystallization experiments using a coactivator-like peptide. Both compounds bound to the same site, and the overall structures of the AR were very similar.

MeSH terms

  • Anabolic Agents / chemical synthesis
  • Anabolic Agents / chemistry
  • Anabolic Agents / pharmacology
  • Androgen Receptor Antagonists / chemical synthesis
  • Androgen Receptor Antagonists / chemistry
  • Androgen Receptor Antagonists / pharmacology
  • Androgens / chemical synthesis*
  • Androgens / chemistry
  • Androgens / pharmacology
  • Animals
  • Binding, Competitive
  • Bone and Bones / drug effects
  • Bone and Bones / physiology
  • Crystallography, X-Ray
  • Drug Partial Agonism
  • HeLa Cells
  • Humans
  • Hydantoins / chemical synthesis*
  • Hydantoins / chemistry
  • Hydantoins / pharmacology
  • Male
  • Models, Molecular
  • Muscle, Skeletal / drug effects
  • Muscle, Skeletal / metabolism
  • Orchiectomy
  • Prostate / drug effects
  • Prostate / physiology
  • Rats
  • Receptors, Androgen / genetics
  • Receptors, Androgen / metabolism
  • Stereoisomerism
  • Structure-Activity Relationship
  • Transcriptional Activation / drug effects

Substances

  • 4-(3,4-dimethyl-2,5-dioxo-4-(4-hydroxyphenyl)imidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
  • Anabolic Agents
  • Androgen Receptor Antagonists
  • Androgens
  • Hydantoins
  • Receptors, Androgen