Synthesis, antimalarial activity, and preclinical pharmacology of a novel series of 4'-fluoro and 4'-chloro analogues of amodiaquine. Identification of a suitable "back-up" compound for N-tert-butyl isoquine

J Med Chem. 2009 Apr 9;52(7):1828-44. doi: 10.1021/jm8012757.

Abstract

On the basis of a mechanistic understanding of the toxicity of the 4-aminoquinoline amodiaquine (1b), three series of amodiaquine analogues have been prepared where the 4-aminophenol "metabolic alert" has been modified by replacement of the 4'-hydroxy group with a hydrogen, fluorine, or chlorine atom. Following antimalarial assessment and studies on mechanism of action, two candidates were selected for detailed ADME studies and in vitro and in vivo toxicological assessment. 4'-Fluoro-N-tert-butylamodiaquine (2k) was subsequently identified as a candidate for further development studies based on potent activity versus chloroquine-sensitive and resistant parasites, moderate to excellent oral bioavailability, low toxicity in in vitro studies, and an acceptable safety profile.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Aminoquinolines / chemical synthesis*
  • Aminoquinolines / pharmacokinetics
  • Aminoquinolines / pharmacology
  • Amodiaquine / analogs & derivatives*
  • Amodiaquine / chemical synthesis*
  • Amodiaquine / chemistry
  • Amodiaquine / pharmacokinetics
  • Amodiaquine / pharmacology
  • Animals
  • Antimalarials / chemical synthesis*
  • Antimalarials / pharmacokinetics
  • Antimalarials / pharmacology
  • Cell Survival
  • Chloroquine / pharmacology
  • Dogs
  • Drug Resistance
  • Female
  • Haplorhini
  • Hepatocytes / cytology
  • Hepatocytes / drug effects
  • Humans
  • In Vitro Techniques
  • Malaria / drug therapy
  • Malaria / parasitology
  • Male
  • Mice
  • Parasitic Sensitivity Tests
  • Plasmodium berghei / drug effects
  • Plasmodium falciparum / drug effects
  • Plasmodium yoelii / drug effects
  • Rats
  • Rats, Wistar
  • Structure-Activity Relationship

Substances

  • (3-(tert-butylaminomethyl)-4-fluorophenyl)(7-chloroquinolin-4-yl)amine
  • Aminoquinolines
  • Antimalarials
  • N-tert-butylisoquine
  • Amodiaquine
  • Chloroquine