Synthesis of 3',4'-difluoro-3'-deoxyribonucleosides and its evaluation of the biological activities: discovery of a novel type of anti-HCV agent 3',4'-difluorocordycepin

Bioorg Med Chem. 2014 Nov 1;22(21):6174-82. doi: 10.1016/j.bmc.2014.08.024. Epub 2014 Sep 17.

Abstract

Upon reacting 3',4'-unsaturated cytosine (8 and 9) and adenine nucleosides (13 and 14) with XeF(2)/BF3 · OEt(2), the respective novel 3',4'-difluoro-3'-deoxyribofuranosyl nucleosides (10-12 and 15-18) could be obtained. Formation of anti-adducts (11, 16 and 18) revealed that the fluorination involved oxonium ions as incipient intermediates. TBDMS-protected 3',4'-unsaturated adenosine provided the β-face adducts as sole stereoisomers whereas α-face-selectivity was observed with the TBDPS-protected adenosine 14. The evaluation of the novel 3'-deoxy-3',4'-difluororibofuranosylcytosine-(19-21) and adenine nucleosides (22-25) against antitumor and antiviral activities revealed that 3',4'-difluorocordycepin (24) was found to possess anti-HCV activity. The SI of 24 was comparable to that of the anti-HCV drug ribavirin. However, sofosbuvir, FDA-approved novel anti-HCV drug, showed better SI value. Our finding revealed that the introduction of the fluoro-substituent into the 4'-position of cordycepin derivatives decreased the cytotoxicity to the host cell with retention of the antiviral activity.

Keywords: Anti-HCV agent; Cordycepin; Fluorinated sugar; Molecular orbital calculation; Nucleoside; Unsaturated sugar.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Antiviral Agents / chemical synthesis
  • Antiviral Agents / chemistry*
  • Antiviral Agents / pharmacology*
  • Cell Line
  • Deoxyadenosines / chemical synthesis
  • Deoxyadenosines / chemistry
  • Deoxyadenosines / pharmacology
  • Deoxyribonucleosides / chemical synthesis
  • Deoxyribonucleosides / chemistry*
  • Deoxyribonucleosides / pharmacology*
  • Halogenation
  • Hepacivirus / drug effects*
  • Hepatitis C / drug therapy
  • Humans
  • Structure-Activity Relationship

Substances

  • Antiviral Agents
  • Deoxyadenosines
  • Deoxyribonucleosides
  • cordycepin