Design, synthesis and activity of novel sorafenib analogues bearing chalcone unit

Bioorg Med Chem Lett. 2016 Nov 15;26(22):5450-5454. doi: 10.1016/j.bmcl.2016.10.029. Epub 2016 Oct 12.

Abstract

Two series of sorafenib derivatives (N-methylpicolinamide-4-oxy) chalcones (5a-o, 7a-e) were synthesized and characterized by NMR and MS. All of the target compounds were evaluated for the cytotoxicity against A549, HepG2, MCF-7, and PC-3 cancer cell lines and some selected compounds were further evaluated for the activity against VEGFR-2/KDR and BRAF kinases. The results indicated that all the compounds showed moderate to good antitumor activity, and the compound 5c showed well cytotoxic activity against HepG2, MCF-7 and PC-3 cell lines with IC50 values of 0.56±0.83μM, 3.88±1.03μM and 3.15±0.81μM, which were 1.03-6.14-fold more active than sorafenib (3.44±1.50μM, 3.18±1.43μM, 3.24±0.45μM), respectively. The compound 5b showed good activity on VEGFR-2/KDR kinase, and its IC50 value was 0.72μM. Structure-activity relationships (SARs) and docking studies indicated that replacement of urea group of sorafenib by chalcone ketones improved the cytotoxic activity, and the results suggested that halogen [3-Br, 4-F] and methoxy (substituted on C-3,4,5 or C-2,3,4 position) substitution was benefit for the activity.

Keywords: (N-Methylpicolinamide-4-oxy) chalcones; Anticancer activity; Sorafenib derivatives; VEGFR-2/KDR kinase inhibitors.

MeSH terms

  • Antineoplastic Agents / chemical synthesis
  • Antineoplastic Agents / chemistry*
  • Antineoplastic Agents / pharmacology*
  • Cell Line, Tumor
  • Cell Survival / drug effects
  • Chalcone / chemical synthesis
  • Chalcone / chemistry*
  • Chalcone / pharmacology*
  • Drug Design
  • Drug Screening Assays, Antitumor
  • Humans
  • Molecular Docking Simulation
  • Neoplasms / drug therapy
  • Neoplasms / metabolism
  • Niacinamide / analogs & derivatives*
  • Niacinamide / chemical synthesis
  • Niacinamide / chemistry
  • Niacinamide / pharmacology
  • Phenylurea Compounds / chemical synthesis
  • Phenylurea Compounds / chemistry*
  • Phenylurea Compounds / pharmacology*
  • Protein Kinase Inhibitors / chemical synthesis
  • Protein Kinase Inhibitors / chemistry
  • Protein Kinase Inhibitors / pharmacology
  • Sorafenib
  • Structure-Activity Relationship
  • Vascular Endothelial Growth Factor Receptor-2 / antagonists & inhibitors*
  • Vascular Endothelial Growth Factor Receptor-2 / metabolism

Substances

  • Antineoplastic Agents
  • Phenylurea Compounds
  • Protein Kinase Inhibitors
  • Niacinamide
  • Chalcone
  • Sorafenib
  • Vascular Endothelial Growth Factor Receptor-2