Highly potent inhibitors of methionine aminopeptidase-2 based on a 1,2,4-triazole pharmacophore

J Med Chem. 2007 Aug 9;50(16):3777-85. doi: 10.1021/jm061182w. Epub 2007 Jul 18.

Abstract

High-throughput screening for inhibitors of the human metalloprotease, methionine aminopeptidase-2 (MetAP2), identified a potent class of 3-anilino-5-benzylthio-1,2,4-triazole compounds. Efficient array and interative synthesis of triazoles led to rapid SAR development around the aniline, benzylthio, and triazole moeities. Evaluation of these analogs in a human MetAP2 enzyme assay led to the identification of several inhibitors with potencies in the 50-100 picomolar range. The deleterious effects on inhibitor potency by methylation of the anilino-triazole nitrogens, as well as the X-ray crystal structure of triazole 102 bound in the active site of MetAP2, confirm the key interactions between the triazole nitrogens, the active site cobalt atoms, and the His-231 side-chain. The structure has also provided a rationale for interpreting SAR within the triazole series. Key aniline (2-isopropylphenyl) and sulfur substituents (furanylmethyl) identified in the SAR studies led to the identification of potent inhibitors (103 and 104) of endothelial cell proliferation. Triazoles 103 and 104 also exhibited dose-dependent activity in an aortic ring tissue model of angiogenesis highlighting the potential utility of MetAP2 inhibitors as anticancer agents.

MeSH terms

  • Aminopeptidases / antagonists & inhibitors*
  • Angiogenesis Inhibitors / chemical synthesis*
  • Angiogenesis Inhibitors / chemistry
  • Angiogenesis Inhibitors / pharmacology
  • Animals
  • Aorta, Thoracic / drug effects
  • Capillaries / drug effects
  • Cell Proliferation / drug effects
  • Crystallography, X-Ray
  • Endothelial Cells / cytology
  • Endothelial Cells / drug effects
  • Endothelium, Vascular / cytology
  • Furans / chemical synthesis*
  • Furans / chemistry
  • Furans / pharmacology
  • In Vitro Techniques
  • Male
  • Metalloendopeptidases / antagonists & inhibitors*
  • Models, Molecular
  • Rats
  • Rats, Sprague-Dawley
  • Structure-Activity Relationship
  • Thiazoles / chemical synthesis*
  • Thiazoles / chemistry
  • Thiazoles / pharmacology
  • Thiophenes / chemical synthesis*
  • Thiophenes / chemistry
  • Thiophenes / pharmacology
  • Triazoles / chemical synthesis*
  • Triazoles / chemistry
  • Triazoles / pharmacology

Substances

  • 3-(2-(isopropyl)anilino)-5-(furan-2-ylmethylthio)-1,2,4-triazole
  • 3-(2-(isopropyl)anilino)-5-(furan-3-ylmethylthio)-1,2,4-triazole
  • 3-(2-(isopropyl)anilino)-5-(thiophen-2-ylmethylthio)-1,2,4-triazole
  • Angiogenesis Inhibitors
  • Furans
  • Thiazoles
  • Thiophenes
  • Triazoles
  • Aminopeptidases
  • methionine aminopeptidase 2
  • Metalloendopeptidases

Associated data

  • PDB/2OAZ