Novel 2-amino-4-oxo-5-arylthio-substituted-pyrrolo[2,3-d]pyrimidines as nonclassical antifolate inhibitors of thymidylate synthase

Bioorg Med Chem Lett. 2005 May 2;15(9):2225-30. doi: 10.1016/j.bmcl.2005.03.029.

Abstract

A series of 17 novel 2-amino-4-oxo-5-[(substituted phenyl)thio]pyrrolo[2,3-d]pyrimidines were synthesized as potential inhibitors of thymidylate synthase (TS) and as antitumor agents. The analogues contain a variety of electron withdrawing substituents on the phenyl ring of the side chain and were evaluated as inhibitors of human TS (hTS) and Escherichia coli TS and of human and E. coli dihydrofolate reductase (DHFR). The analogues 14, 17, and 18 were potent inhibitors of hTS with IC50 values of 0.28, 0.21, and 0.22 microM, respectively, and were more potent than the clinically used ZD1694, 2 and LY231514, 3 against human TS.

Publication types

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

MeSH terms

  • Enzyme Inhibitors / chemical synthesis
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / pharmacology
  • Folic Acid Antagonists / chemical synthesis*
  • Folic Acid Antagonists / chemistry
  • Folic Acid Antagonists / pharmacology
  • Indicators and Reagents
  • Molecular Conformation
  • Molecular Structure
  • Protein Conformation
  • Pyrimidines / chemical synthesis*
  • Pyrimidines / chemistry*
  • Pyrimidines / pharmacology
  • Pyrroles / chemical synthesis
  • Pyrroles / chemistry
  • Pyrroles / pharmacology
  • Thymidylate Synthase / antagonists & inhibitors*
  • Thymidylate Synthase / chemistry

Substances

  • Enzyme Inhibitors
  • Folic Acid Antagonists
  • Indicators and Reagents
  • Pyrimidines
  • Pyrroles
  • Thymidylate Synthase