Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template

J Med Chem. 2010 Mar 11;53(5):2155-70. doi: 10.1021/jm901705h.

Abstract

Single agents against multiple drug targets are of increasing interest. Hormone-dependent breast cancer (HDBC) may be more effectively treated by dual inhibition of aromatase and steroid sulfatase (STS). The aromatase inhibitory pharmacophore was thus introduced into a known biphenyl STS inhibitor to give a series of novel dual aromatase-sulfatase inhibitors (DASIs). Several compounds are good aromatase or STS inhibitors and DASI 20 (IC(50): aromatase, 2.0 nM; STS, 35 nM) and its chlorinated congener 23 (IC(50): aromatase, 0.5 nM; STS, 5.5 nM) are examples that show exceptional dual potency in JEG-3 cells. Both biphenyls share a para-sulfamate-containing ring B and a ring A, which contains a triazol-1-ylmethyl meta to the biphenyl bridge and para to a nitrile. At 1 mg/kg po, 20 and 23 reduced plasma estradiol levels strongly and inhibited liver STS activity potently in vivo. 23 is nonestrogenic and potently inhibits carbonic anhydrase II (IC(50) 86 nM). A complex was crystallized and its structure was solved by X-ray crystallography. This class of DASI should encourage further development toward multitargeted therapeutic intervention in HDBC.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Aromatase Inhibitors / chemical synthesis
  • Aromatase Inhibitors / chemistry*
  • Aromatase Inhibitors / pharmacology*
  • Biphenyl Compounds / chemical synthesis
  • Biphenyl Compounds / chemistry*
  • Biphenyl Compounds / pharmacology*
  • Cell Line, Tumor
  • Cell Proliferation / drug effects
  • Crystallography, X-Ray
  • Female
  • Humans
  • Inhibitory Concentration 50
  • Magnetic Resonance Spectroscopy
  • Rats
  • Rats, Wistar
  • Spectrometry, Mass, Electrospray Ionization
  • Steryl-Sulfatase / antagonists & inhibitors*
  • Steryl-Sulfatase / metabolism
  • Structure-Activity Relationship
  • Triazoles / chemical synthesis
  • Triazoles / chemistry*
  • Triazoles / pharmacology*

Substances

  • Aromatase Inhibitors
  • Biphenyl Compounds
  • Triazoles
  • Steryl-Sulfatase