Synthesis and biological activity of folic acid and methotrexate analogues containing L-threo-(2S,4S)-4-fluoroglutamic acid and DL-3,3-difluoroglutamic acid

J Med Chem. 1996 Jan 5;39(1):56-65. doi: 10.1021/jm950515e.

Abstract

The stereospecific syntheses of L-threo-gamma-fluoromethotrexate (1t) and L-threo-gamma-fluorofolic acid (3t) are reported. Compounds 1t and 3t have no substrate activity with folylpoly-gamma-glutamate synthetase isolated from CCRF-CEM human leukemia cells, and compound 1t inhibits human dihydrofolate reductase at similar levels as methotrexate. The synthesis of DL-3,3-difluoroglutamic acid (6) and its incorporation into DL-beta,beta-difluorofolic acid (4) are also reported. Compound 4 acts as a better substrate for human CCRF-CEM folylpoly-gamma-glutamate synthetase than folic acid (V/K = ca. 7-fold greater). Thus, replacement of the glutamate moiety of methotrexate and folic acid with 4-fluoroglutamic acid and 3,3-difluoroglutamic acid results in folates and antifolates with altered polyglutamylation activity.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Animals
  • Folic Acid / analogs & derivatives*
  • Folic Acid / chemical synthesis
  • Folic Acid / chemistry
  • Folic Acid / pharmacology
  • Folic Acid Antagonists / chemical synthesis
  • Folic Acid Antagonists / pharmacology
  • Glutamates / chemical synthesis*
  • Glutamates / pharmacology
  • Humans
  • Kinetics
  • Magnetic Resonance Spectroscopy
  • Methotrexate / analogs & derivatives*
  • Methotrexate / chemical synthesis
  • Methotrexate / chemistry
  • Methotrexate / pharmacology
  • Molecular Structure
  • Peptide Synthases / metabolism
  • Pteroylpolyglutamic Acids / antagonists & inhibitors
  • Pteroylpolyglutamic Acids / metabolism
  • Rats
  • Stereoisomerism
  • Tetrahydrofolate Dehydrogenase / metabolism
  • Tumor Cells, Cultured

Substances

  • Folic Acid Antagonists
  • Glutamates
  • Pteroylpolyglutamic Acids
  • beta,beta-difluorofolic acid
  • fluoresceinated methotrexate
  • gamma-fluorofolic acid
  • Folic Acid
  • Tetrahydrofolate Dehydrogenase
  • Peptide Synthases
  • folylpolyglutamate synthetase
  • Methotrexate