N-phosphonocarbonylpyrrolidine derivatives of guanine: a new class of bi-substrate inhibitors of human purine nucleoside phosphorylase

J Med Chem. 2012 Feb 23;55(4):1612-21. doi: 10.1021/jm201409u. Epub 2012 Feb 13.

Abstract

A complete series of pyrrolidine nucleotides, (3R)- and (3S)-3-(guanin-9-yl)pyrrolidin-1-N-ylcarbonylphosphonic acids and (3S,4R)-, (3R,4S)-, (3S,4S)-, and (3R,4R)-4-(guanin-9-yl)-3-hydroxypyrrolidin-1-N-ylcarbonylphosphonic acids, were synthesized and evaluated as potential inhibitors of purine nucleoside phosphorylase (PNP) isolated from peripheral blood mononuclear cells (PBMCs) and cell lines of myeloid and lymphoid origin. Two compounds, (S)-3-(guanin-9-yl)pyrrolidin-1-N-ylcarbonylphosphonic acid (2a) and (3S,4R)-4-(guanin-9-yl)-3-hydroxypyrrolidin-1-N-ylcarbonylphosphonic acid (6a), were recognized as nanomolar competitive inhibitors of PNP isolated from cell lines with K(i) values within the ranges of 16-100 and 10-24 nM, respectively. The low (MESG)K(i) and (Pi)K(i) values of both compounds for PNP isolated from PBMCs suggest that these compounds could be bisubstrate inhibitors that occupy both the phosphate and nucleoside binding sites of the enzyme.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Cell Line, Tumor
  • Guanine / analogs & derivatives*
  • Guanine / chemical synthesis*
  • Guanine / chemistry
  • Guanine Nucleotides / chemical synthesis*
  • Guanine Nucleotides / chemistry
  • Humans
  • Leukocytes, Mononuclear / enzymology
  • Organophosphonates / chemical synthesis*
  • Organophosphonates / chemistry
  • Phosphorous Acids
  • Purine-Nucleoside Phosphorylase / antagonists & inhibitors*
  • Purine-Nucleoside Phosphorylase / chemistry
  • Pyrrolidines / chemical synthesis*
  • Pyrrolidines / chemistry
  • Stereoisomerism
  • Structure-Activity Relationship

Substances

  • 3-(guanin-9-yl)pyrrolidin-N-ylcarbonylphosphonic acid
  • 4-(guanin-9-yl)-3-hydroxypyrrolidin-1-N-ylcarbonylphosphonic acid
  • Guanine Nucleotides
  • Organophosphonates
  • Phosphorous Acids
  • Pyrrolidines
  • Guanine
  • Purine-Nucleoside Phosphorylase