Selective water-soluble gelatinase inhibitor prodrugs

J Med Chem. 2011 Oct 13;54(19):6676-90. doi: 10.1021/jm200566e. Epub 2011 Sep 6.

Abstract

SB-3CT (1), a selective and potent thiirane-based gelatinase inhibitor, is effective in animal models of cancer metastasis and stroke; however, it is limited by poor aqueous solubility and extensive metabolism. We addressed these issues by blocking the primary site of metabolism and capitalizing on a prodrug strategy to achieve >5000-fold increased solubility. The amide prodrugs were quantitatively hydrolyzed in human blood to a potent gelatinase inhibitor, ND-322 (3). The arginyl amide prodrug (ND-478, 5d) was metabolically stable in mouse, rat, and human liver microsomes. Both 5d and 3 were nonmutagenic in the Ames II mutagenicity assay. The prodrug 5d showed moderate clearance of 0.0582 L/min/kg, remained mostly in the extracellular fluid compartment (Vd = 0.0978 L/kg), and had a terminal half-life of >4 h. The prodrug 5d had superior pharmacokinetic properties than those of 3, making the thiirane class of selective gelatinase inhibitors suitable for intravenous administration in the treatment of acute gelatinase-dependent diseases.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Amides / chemical synthesis
  • Amides / pharmacokinetics
  • Amides / pharmacology
  • Animals
  • Arginine / analogs & derivatives*
  • Arginine / chemical synthesis
  • Arginine / pharmacokinetics
  • Arginine / pharmacology
  • Gelatinases / antagonists & inhibitors*
  • Heterocyclic Compounds, 1-Ring / chemical synthesis*
  • Heterocyclic Compounds, 1-Ring / pharmacokinetics
  • Heterocyclic Compounds, 1-Ring / pharmacology
  • Humans
  • Hydrolysis
  • In Vitro Techniques
  • Male
  • Mice
  • Mice, Inbred C57BL
  • Microsomes, Liver / metabolism
  • Mutagenicity Tests
  • Prodrugs / chemical synthesis*
  • Prodrugs / pharmacokinetics
  • Prodrugs / pharmacology
  • Rats
  • Solubility
  • Structure-Activity Relationship
  • Sulfones / chemical synthesis*
  • Sulfones / pharmacokinetics
  • Sulfones / pharmacology
  • Water

Substances

  • Amides
  • Heterocyclic Compounds, 1-Ring
  • ND 322
  • Prodrugs
  • SB 3CT compound
  • Sulfones
  • Water
  • Arginine
  • Gelatinases