Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies

Bioorg Med Chem Lett. 2007 Oct 15;17(20):5563-6. doi: 10.1016/j.bmcl.2007.08.009. Epub 2007 Aug 11.

Abstract

Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER subtypes alpha and beta in opposite orientations. Here we describe the synthesis of a late stage intermediate that allowed us to combine A-ring and C-ring modifications and carry out simultaneous SAR studies at both positions. Modification of both positions proved additive, maintaining affinity and improving ERbeta selectivity up to 83-fold. An X-ray cocrystal structure confirms the previously observed binding mode in ERbeta.

MeSH terms

  • Benzopyrans / chemical synthesis
  • Benzopyrans / chemistry*
  • Benzopyrans / pharmacology*
  • Crystallography, X-Ray
  • Estrogen Receptor alpha / agonists
  • Estrogen Receptor alpha / metabolism
  • Estrogen Receptor beta / agonists*
  • Estrogen Receptor beta / metabolism*
  • Models, Molecular
  • Molecular Structure
  • Structure-Activity Relationship

Substances

  • Benzopyrans
  • Estrogen Receptor alpha
  • Estrogen Receptor beta