Cyclooxygenase-2 inhibitors. 1,5-diarylpyrrol-3-acetic esters with enhanced inhibitory activity toward cyclooxygenase-2 and improved cyclooxygenase-2/cyclooxygenase-1 selectivity

J Med Chem. 2007 Nov 1;50(22):5403-11. doi: 10.1021/jm0707525. Epub 2007 Oct 4.

Abstract

The important role of cyclooxygenase-2 (COX-2) in the pathogenesis of inflammation and side effect limitations of current COX-2 inhibitor drugs illustrates a need for the design of new compounds based on alternative structural templates. We previously reported a set of substituted 1,5-diarylpyrrole derivatives, along with their inhibitory activity toward COX enzymes. Several compounds proved to be highly selective COX-2 inhibitors and their affinity data were rationalized through docking simulations. In this paper, we describe the synthesis of new 1,5-diarylpyrrole derivatives that were assayed for their in vitro inhibitory effects toward COX isozymes. Among them, the ethyl-2-methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-fluorophenyl]-1H-pyrrol-3-acetate (1d), which was the most potent and COX-2 selective compound, also showed a very interesting in vivo anti-inflammatory and analgesic activity, laying the foundations for developing new lead compounds that could be effective agents in the armamentarium for the management of inflammation and pain.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Acetates / chemical synthesis*
  • Acetates / chemistry
  • Acetates / pharmacology
  • Adult
  • Animals
  • Carrageenan
  • Cell Line
  • Cyclooxygenase 1 / metabolism*
  • Cyclooxygenase 2 / metabolism*
  • Cyclooxygenase 2 Inhibitors / chemical synthesis*
  • Cyclooxygenase 2 Inhibitors / chemistry
  • Cyclooxygenase 2 Inhibitors / pharmacology
  • Dinoprostone / blood
  • Edema / chemically induced
  • Edema / prevention & control
  • Female
  • Humans
  • Male
  • Mice
  • Models, Molecular
  • Pain Measurement
  • Pyrroles / chemical synthesis*
  • Pyrroles / chemistry
  • Pyrroles / pharmacology
  • Radioimmunoassay
  • Rats
  • Rats, Sprague-Dawley
  • Rats, Wistar
  • Structure-Activity Relationship
  • T-Box Domain Proteins / blood

Substances

  • Acetates
  • Cyclooxygenase 2 Inhibitors
  • Pyrroles
  • T-Box Domain Protein 2
  • T-Box Domain Proteins
  • ethyl 2-methyl-5-(4-(methylsulfonyl)phenyl)-1-(3-fluorophenyl)-1H-pyrrol-3-acetate
  • Carrageenan
  • Cyclooxygenase 1
  • Cyclooxygenase 2
  • Dinoprostone