Synthesis and structure-activity relationships of 4-alkynyloxy phenyl sulfanyl, sulfinyl, and sulfonyl alkyl hydroxamates as tumor necrosis factor-alpha converting enzyme and matrix metalloproteinase inhibitors

J Med Chem. 2004 Dec 2;47(25):6255-69. doi: 10.1021/jm040086x.

Abstract

A series of 4-alkynyloxy phenyl sulfanyl, sulfinyl and sulfony alkyl and piperidine-4-carboxylic acid hydroxamides were synthesized. Their structure-activity relationships, against tumor necrosis factor-alpha (TACE) and matrix metalloproteinase (MMP) inhibitor activities, are presented by investigating the oxidation state on sulfur and altering the P1' substituent. The sulfonyl derivatives 20-24 carrying a 4-butynyloxy moiety were selective TACE inhibitors over the MMPs tested. The sulfinyl derivatives showed a preference for a specific oxidation on sulfur as in compounds 25-28. The selectivity over MMPs was also demonstrated in the sulfonyl series. The enhanced cellular activity was achieved upon incorporating a butynyloxy substituent in the piperidene series. Compounds 64 and 65 were potent inhibitors of TNF-alpha release in the mouse at 100 mg/kg po.

MeSH terms

  • ADAM Proteins
  • ADAM17 Protein
  • Animals
  • Crystallography, X-Ray
  • Humans
  • Hydroxamic Acids / chemical synthesis*
  • Hydroxamic Acids / chemistry
  • Hydroxamic Acids / pharmacology
  • In Vitro Techniques
  • Matrix Metalloproteinase Inhibitors*
  • Metalloendopeptidases / antagonists & inhibitors*
  • Mice
  • Models, Molecular
  • Molecular Structure
  • Monocytes / drug effects
  • Monocytes / metabolism
  • Oxidation-Reduction
  • Piperidines / chemical synthesis
  • Piperidines / chemistry
  • Piperidines / pharmacology
  • Structure-Activity Relationship
  • Sulfides / chemical synthesis*
  • Sulfides / chemistry
  • Sulfides / pharmacology
  • Sulfones / chemical synthesis*
  • Sulfones / chemistry
  • Sulfones / pharmacology
  • Sulfoxides / chemical synthesis*
  • Sulfoxides / chemistry
  • Sulfoxides / pharmacology
  • Tumor Necrosis Factor-alpha / metabolism

Substances

  • Hydroxamic Acids
  • Matrix Metalloproteinase Inhibitors
  • Piperidines
  • Sulfides
  • Sulfones
  • Sulfoxides
  • Tumor Necrosis Factor-alpha
  • ADAM Proteins
  • Metalloendopeptidases
  • ADAM17 Protein
  • ADAM17 protein, human
  • Adam17 protein, mouse