Synthesis and in vitro antitumor activity of new deaza analogues of the nonpolyglutamatable antifolate N(alpha)-(4-amino-4-deoxypteroyl)-N(delta)-hemiphthaloyl-L-ornithine (PT523)

J Med Chem. 2002 Apr 11;45(8):1690-6. doi: 10.1021/jm010518t.

Abstract

Details are disclosed for the synthesis of N(alpha)-[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]-N(delta)-hemiphthaloyl-L-ornithine (2) and N(alpha)-[4-[5-(2,4-diaminoteridin-6-yl)pent-1-yn-4-yl]benzoyl]-N(delta)-hemiphthaloyl-L-ornithine (6) as analogues of N(alpha)-(4-amino-4-deoxypteroyl)-N(delta)-hemiphthaloyl-L-ornithine (1, PT523), a nonpolyglutamatable antifolate currently in advanced preclinical development. In a 72 h growth inhibition assay against cultures of CCRF-CEM human leukemic lymphoblasts, the IC(50) of 2 and 6 was 0.69 +/- 0.044 nM and 1.3 +/- 0.35 nM, respectively, as compared with previously reported values 4.4 +/- 0.10 nM for aminopterin (AMT) and 1.5 +/- 0.39 nM for PT523. In a spectrophotometric assay of dihydrofolate reductase (DHFR) inhibition using dihydrofolate and NADPH as the cosubstrates, the previously unreported compounds 2 and the mixed 10R and 10S diastereomers of 6 had K(i) values of 0.21 +/- 0.05 pM and 0.60 +/- 0.02 pM, respectively, as compared with previously reported values of 3.70 +/- 0.35 pM for AMT and 0.33 +/- 0.04 pM for PT523. Thus, while they were comparable to 1 and several of its previously studied analogues in their ability to bind to DHFR and inhibit the growth of CCRF-CEM cells, 2 and the mixed diastereomers of 6 were several times more active than AMT despite the fact that they cannot form gamma-polyglutamylated metabolites of the type formed in cells from AMT and other classical antifolates with a glutamate side chain.

Publication types

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

MeSH terms

  • Antineoplastic Agents / chemical synthesis*
  • Antineoplastic Agents / chemistry
  • Antineoplastic Agents / pharmacology
  • Cell Division / drug effects
  • Drug Screening Assays, Antitumor
  • Folic Acid Antagonists / chemical synthesis*
  • Folic Acid Antagonists / chemistry
  • Folic Acid Antagonists / pharmacology
  • Humans
  • Ornithine / analogs & derivatives*
  • Ornithine / chemical synthesis*
  • Ornithine / chemistry*
  • Ornithine / pharmacology
  • Pteridines / chemical synthesis*
  • Pteridines / chemistry
  • Pteridines / pharmacology
  • Pterins / chemistry*
  • Pterins / pharmacology
  • Quinazolines / chemical synthesis*
  • Quinazolines / chemistry
  • Quinazolines / pharmacology
  • Stereoisomerism
  • Structure-Activity Relationship
  • Tetrahydrofolate Dehydrogenase / metabolism
  • Tumor Cells, Cultured

Substances

  • Antineoplastic Agents
  • Folic Acid Antagonists
  • N(alpha)-(4-(2-(2,4-diaminoquinazolin-6-yl)ethyl)benzoyl)-N(delta)-hemiphthaloylornithine
  • N(alpha)-(4-(5-(2,4-diaminopteridin-6-yl)pent-1-yn-4-yl)benzoyl)-N(delta)-hemiphthaloylornithine
  • Pteridines
  • Pterins
  • Quinazolines
  • N(alpha)-(4-amino-4-deoxypteroyl)-N(delta)-hemiphthaloyl-L-ornithine
  • Ornithine
  • Tetrahydrofolate Dehydrogenase