Design, synthesis and in vitro anticancer evaluation of 4,6-diamino-1,3,5-triazine-2-carbohydrazides and -carboxamides

Bioorg Med Chem Lett. 2013 Dec 15;23(24):6886-9. doi: 10.1016/j.bmcl.2013.09.087. Epub 2013 Oct 6.

Abstract

Series of substituted 4,6-diamino-1,3,5-triazine-2-carbohydrazides and -carboxamides have been synthesised, based on molecular modelling of candidate structures related to the previously reported Rad6B-inhibitory diamino-triazinylmethyl benzoate anticancer agents TZ8 and TZ9. Synthesis of the target compounds was readily accomplished in two steps from aryl biguanides via reaction of phenylhydrazine or benzylamines with key 4-amino-6-(arylamino)-1,3,5-triazine-2-carboxylate intermediates. These new triazine derivatives were tested for in vitro anticancer activity against the Rad6B expressing human breast cancer cell lines MDA-MB-231 and MCF-7. Active compounds, such as the triazinyl-carbohydrazides 3a-e, were found to exhibit low micromolar IC50 values particularly in the Rad6B-overexpressing MDA-MB-231 cell line.

Keywords: Breast cancer; E2 ubiquitin conjugating enzyme; MCF-7; MDA-MB-231; Rad6B; Triazines.

MeSH terms

  • Amides / chemical synthesis*
  • Amides / chemistry
  • Amides / pharmacology*
  • Antineoplastic Agents / chemical synthesis
  • Antineoplastic Agents / chemistry
  • Antineoplastic Agents / pharmacology
  • Binding Sites
  • Catalytic Domain
  • Cell Line, Tumor
  • Cell Survival / drug effects
  • Drug Design*
  • Humans
  • Hydrazines / chemical synthesis*
  • Hydrazines / chemistry
  • Hydrazines / pharmacology*
  • MCF-7 Cells
  • Molecular Docking Simulation
  • Structure-Activity Relationship
  • Triazines / chemistry*
  • Ubiquitin-Conjugating Enzymes / antagonists & inhibitors
  • Ubiquitin-Conjugating Enzymes / metabolism

Substances

  • Amides
  • Antineoplastic Agents
  • Hydrazines
  • Triazines
  • UBE2B protein, human
  • Ubiquitin-Conjugating Enzymes
  • carbohydrazide