5'-O-Aliphatic and amino acid ester prodrugs of (-)-beta-D-(2R,4R)-dioxolane-thymine (DOT): synthesis, anti-HIV activity, cytotoxicity and stability studies

Bioorg Med Chem. 2009 Feb 1;17(3):1404-9. doi: 10.1016/j.bmc.2008.10.078. Epub 2008 Nov 5.

Abstract

A series of (-)-beta-D-(2R,4R)-dioxolane-thymine-5'-O-aliphatic acid esters as well as amino acid esters were synthesized as prodrugs of (-)-beta-D-(2R,4R)-dioxolane-thymine (DOT). The compounds were evaluated for anti-HIV activity against HIV-1(LAI) in human peripheral blood mononuclear (PBM) cells as well as for their cytotoxicity in PBM, CEM and Vero cells. Improved anti-HIV potency in vitro was observed for the compound 2-4 (5'-O-aliphatic acid esters) without increase in cytotoxicity in comparison to the parent drug. Chemical and enzymatic hydrolysis of the prodrugs was also studied, in which the prodrugs exhibited good chemical stability with the half-lives from 3 h to 54 h at pH 2.0 and 7.4 phosphate buffer. However, the prodrugs were relatively labile to porcine esterase with the half-lives from 12.3 to 48.0 min.

Publication types

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

MeSH terms

  • Animals
  • Anti-HIV Agents / chemistry*
  • Anti-HIV Agents / pharmacology*
  • Anti-HIV Agents / toxicity
  • Cell Line
  • Chlorocebus aethiops
  • Dioxolanes / chemistry
  • Dioxolanes / pharmacology*
  • Dioxolanes / toxicity
  • Drug Stability
  • Half-Life
  • Humans
  • Leukocytes, Mononuclear / drug effects
  • Prodrugs / chemistry*
  • Prodrugs / pharmacology*
  • Prodrugs / toxicity
  • Stereoisomerism
  • Thymine / analogs & derivatives*
  • Thymine / chemistry
  • Thymine / pharmacology
  • Thymine / toxicity
  • Vero Cells

Substances

  • Anti-HIV Agents
  • Dioxolanes
  • Prodrugs
  • dioxolane-thymine
  • Thymine