1,2-Benzothiazine 1,1-dioxide P(2)-P(3) peptide mimetic aldehyde calpain I inhibitors

J Med Chem. 2001 Oct 11;44(21):3488-503. doi: 10.1021/jm010178b.

Abstract

A series of peptide mimetic aldehyde inhibitors of calpain I was prepared in which the P(2) and P(3) amino acids were replaced by substituted 3,4-dihydro-1,2-benzothiazine-3-carboxylate 1,1-dioxides. The effect of 2, 6, and 7-benzothiazine substituents and the P(1) amino acid was examined. Potency of these inhibitors, 15c-p, against human recombinant calpain I is particularly dependent upon the 2-substituent, with methyl and ethyl generally more potent than hydrogen, isopropyl, isobutyl, or benzyl. The more potent diastereomer of 15m possesses the (S) absolute configuration at the 3-position of the 3,4-dihydro-1,2-benzothiazine. Potency of the best inhibitors in this series (IC(50) = 5-7 nM) compares favorably with that of conventional N-benzyloxycarbonyl dipeptide aldehyde inhibitors bearing L-Leu or L-Val residues at P(2). The achiral unsaturated 1,2-benzothiazine analogues 26a-d are also potent calpain I inhibitors, while 3,4-dihydro-2,1-benzoxathiin (15a,b), 1,2,4-benzothiadiazine (32a,b), and tetrahydroisoquinolinone (36a,b) analogues are less potent.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Aldehydes / chemical synthesis*
  • Aldehydes / chemistry
  • Aldehydes / pharmacology
  • Calpain / chemistry*
  • Calpain / metabolism
  • Cyclic S-Oxides / chemical synthesis*
  • Cyclic S-Oxides / chemistry
  • Cyclic S-Oxides / pharmacology
  • Electrophoresis, Polyacrylamide Gel
  • Humans
  • Models, Molecular
  • Molecular Mimicry
  • Peptides / chemistry*
  • Phenylalanine / analogs & derivatives
  • Phenylalanine / chemical synthesis*
  • Phenylalanine / chemistry
  • Phenylalanine / pharmacology
  • Protease Inhibitors / chemical synthesis*
  • Protease Inhibitors / chemistry
  • Protease Inhibitors / pharmacology
  • Structure-Activity Relationship
  • Thiazines / chemical synthesis*
  • Thiazines / chemistry
  • Thiazines / pharmacology
  • Tumor Cells, Cultured

Substances

  • Aldehydes
  • Cyclic S-Oxides
  • N-(3,4-dihydro-6,7-ethylenedioxy-2-ethyl-2H-1,2-benzothiazine-3-carbonyl)phenylalaninal 1,1-dioxide
  • Peptides
  • Protease Inhibitors
  • Thiazines
  • Phenylalanine
  • Calpain