Investigation of (E)-3-[4-(2-Oxo-3-aryl-chromen-4-yl)oxyphenyl]acrylic Acids as Oral Selective Estrogen Receptor Down-Regulators

J Med Chem. 2015 Apr 23;58(8):3522-33. doi: 10.1021/acs.jmedchem.5b00066. Epub 2015 Apr 1.

Abstract

A novel estrogen receptor down-regulator, 7-hydroxycoumarin (5, SS5020), has been reported with antitumor effects against chemically induced mammary tumors. Here, we report on our own investigation of 7-hydroxycoumarins as potential selective estrogen receptor down-regulators, which led us to the discovery of potent down-regulating antagonists, such as 33. Subsequent optimization and removal of the 7-hydroxy group led to coumarin 59, which had increased potency and improved rat bioavailability relative to SS5020.

MeSH terms

  • Administration, Oral
  • Animals
  • Cell Line, Tumor
  • Coumarins / chemistry
  • Coumarins / pharmacokinetics
  • Coumarins / pharmacology
  • Down-Regulation / drug effects
  • Estrogen Receptor alpha / analysis
  • Estrogen Receptor alpha / metabolism*
  • Humans
  • Molecular Docking Simulation
  • Rats
  • Umbelliferones / chemistry*
  • Umbelliferones / pharmacokinetics
  • Umbelliferones / pharmacology*

Substances

  • Coumarins
  • ESR1 protein, human
  • Estrogen Receptor alpha
  • Umbelliferones
  • 7-hydroxycoumarin
  • coumarin