D-ring modified estrone derivatives as novel potent inhibitors of steroid sulfatase

Bioorg Med Chem. 2003 Apr 17;11(8):1685-700. doi: 10.1016/s0968-0896(03)00042-7.

Abstract

A series of novel D-ring modified derivatives of estrone was synthesized and tested as inhibitors of steroid sulfatase (STS). The steroidal D-ring was cleaved via an iodoform reaction and thermal condensation of the resulting marrianolic acid derivative gave 16,17-seco-estra-1,3,5(10)-triene-16,17-imide derivatives, where a piperidinedione moiety is in place of the D-ring. This synthetic approach was found to give a higher overall yield than the literature method of Beckmann rearrangement. A range of alkyl side chains have been introduced on the nitrogen atom of the imido-ring and the corresponding 3-O-sulfamates synthesized. The new D-ring modified estrone derivatives bearing a propyl (39) and a 1-pyridin-3-ylmethyl (46) moiety had IC(50) values of 1 nM when tested in placental microsomes for the inhibition of STS. These compounds are therefore up to 18-fold more potent than EMATE, the very first highly potent irreversible steroidal STS inhibitor.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography, X-Ray
  • Enzyme Inhibitors / chemistry*
  • Enzyme Inhibitors / pharmacology*
  • Estrone / analogs & derivatives*
  • Estrone / pharmacology
  • Humans
  • Inhibitory Concentration 50
  • Microsomes / drug effects
  • Microsomes / enzymology
  • Molecular Structure
  • Placenta / metabolism
  • Reference Standards
  • Steryl-Sulfatase / antagonists & inhibitors*
  • Structure-Activity Relationship

Substances

  • Enzyme Inhibitors
  • estrone-3-O-sulfamate
  • Estrone
  • Steryl-Sulfatase