N-substituted homopiperazine barbiturates as gelatinase inhibitors

Bioorg Med Chem. 2011 Aug 15;19(16):4985-99. doi: 10.1016/j.bmc.2011.06.055. Epub 2011 Jun 25.

Abstract

Matrix metalloproteinases are implicated in a wide range of pathophysiological processes and potent selective inhibitors for these enzymes continue to be eagerly sought. 5,5-Disubstituted barbiturates hold promise as inhibitor types being stable in vivo and relatively selective for the gelatinases (MMP-2 and MMP-9). In this paper we describe the synthesis of 5-piperazine and -homopiperazine substituted barbiturates. The activity of these compounds as gelatinase inhibitors was evaluated using supernatants from 12-O-tetradecanoylphorbol-13-acetate (PMA)-stimulated HT-1080 cells as well as using recombinant human MMPs. N-Acyl homopiperazine compounds were found to be potent inhibitors of the gelatinases (range in nM) and generally more potent than the corresponding piperazine analogues. The panel of N-acyl homopiperazines was enlarged in order to exploit differences between the gelatinases at the S2' site in order to design MMP-2- or MMP-9-selective inhibitors. Compounds in this group exhibited single digit nano-molar potency and some selectivity between the two enzymes. Representative potent compounds were effective inhibitors of cancer cell migration.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Antineoplastic Agents / chemical synthesis*
  • Antineoplastic Agents / chemistry
  • Antineoplastic Agents / pharmacology
  • Antineoplastic Agents / therapeutic use
  • Barbiturates / chemical synthesis*
  • Barbiturates / chemistry
  • Barbiturates / pharmacology
  • Barbiturates / therapeutic use
  • Caco-2 Cells
  • Cell Movement / drug effects
  • Enzyme Inhibitors / chemical synthesis*
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / pharmacology
  • Extracellular Matrix / drug effects
  • Fibrosarcoma / drug therapy
  • Gelatinases / antagonists & inhibitors*
  • Gelatinases / chemistry
  • Gelatinases / metabolism
  • Humans
  • Matrix Metalloproteinase 2 / drug effects
  • Matrix Metalloproteinase 9 / drug effects
  • Matrix Metalloproteinase Inhibitors
  • Models, Molecular
  • Nitrogen / chemistry
  • Piperazines / chemical synthesis*
  • Piperazines / chemistry
  • Piperazines / pharmacology
  • Piperazines / therapeutic use

Substances

  • Antineoplastic Agents
  • Barbiturates
  • Enzyme Inhibitors
  • Matrix Metalloproteinase Inhibitors
  • Piperazines
  • Gelatinases
  • Matrix Metalloproteinase 2
  • Matrix Metalloproteinase 9
  • Nitrogen