The design, synthesis, and evaluation of organ-specific iron chelators

J Med Chem. 2006 Nov 30;49(24):7032-43. doi: 10.1021/jm0608816.

Abstract

A series of iron chelators, three (S)-4,5-dihydro-2-(2-hydroxyphenyl)-4-methyl-4-thiazolecarboxylic acid (DADFT) and three (S)-4,5-dihydro-2-(2-hydroxyphenyl)-4-thiazolecarboxylic acid (DADMDFT) analogues are synthesized and assessed for their lipophilicity (log Papp), iron-clearing efficiency (ICE) in rodents and iron-loaded primates (Cebus apella), toxicity in rodents, and organ distribution in rodents. The results lead to a number of generalizations useful in chelator design strategies. In rodents, while log Papp is a good predictor of a chelator's ICE, chelator liver concentration is a better tool. In primates, log Papp is a good predictor of ICE, but only when comparing structurally very similar chelators. There is a profound difference in toxicity between the DADMDFT and DADFT series: DADMDFTs are less toxic. Within the DADFT family of ligands, the more lipophilic ligands are generally more toxic. Lipophilicity can have a profound effect on ligand organ distribution, and ligands can thus be targeted to organs compromised in iron overload disease, for example, the heart.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Animals
  • Bile / metabolism
  • Carboxylic Acids / chemical synthesis*
  • Carboxylic Acids / chemistry
  • Carboxylic Acids / pharmacology
  • Cebus
  • Dihydropyridines / chemical synthesis
  • Dihydropyridines / chemistry
  • Dihydropyridines / pharmacology
  • Iron Chelating Agents / chemical synthesis*
  • Iron Chelating Agents / chemistry
  • Iron Chelating Agents / pharmacology
  • Iron-Dextran Complex / blood
  • Iron-Dextran Complex / pharmacokinetics
  • Iron-Dextran Complex / urine
  • Kidney / metabolism
  • Liver / metabolism
  • Male
  • Myocardium / metabolism
  • Organ Specificity
  • Pancreas / metabolism
  • Rats
  • Rats, Sprague-Dawley
  • Stereoisomerism
  • Structure-Activity Relationship
  • Thiazoles / chemical synthesis*
  • Thiazoles / chemistry
  • Thiazoles / pharmacology
  • Tissue Distribution

Substances

  • Carboxylic Acids
  • Dihydropyridines
  • Iron Chelating Agents
  • Thiazoles
  • desazadesferrithiocin
  • Iron-Dextran Complex