Synthesis of a 3-(α-styryl)benzo[b]-thiophene library via bromocyclization of alkynes and palladium-catalyzed to sylhydrazones cross-couplings: evaluation as antitubulin agents

ACS Comb Sci. 2014 Dec 8;16(12):702-10. doi: 10.1021/co500115b. Epub 2014 Sep 25.

Abstract

A library of functionalized 3-(α-styryl)-benzo[b]thiophenes, endowed with a high level of molecular diversity, was efficiently synthesized by applying a synthetic sequence that allowed introduction of various substituents on aromatic A, B, and C-rings. The strategy developed involves the synthesis of 3-bromobenzo[b]thiophene derivatives through a bromocyclization step of methylthio-containing alkynes using N-methylpyrrolidin-2-one hydrotribromide reagent (MPHT). Further coupling of 3-bromobenzothiophenes under palladium-catalysis with N-tosylhydrazones efficiently furnished 2-aryl-3-(α-styryl)benzo[b]thiophene derivatives. The antiproliferative properties of target compounds were studied. Among them, compound 5m has demonstrated submicromolar cytotoxic activity against HCT-116 cell line, and inhibited the polymerization of tubulin at micromolar level comparable to that of CA-4.

Keywords: N-tosylhydrazone; antimitotic agents; bromocyclization; migratory insertion; palladium; α-styrylbenzo[b]thiophene.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alkynes / chemistry
  • Antineoplastic Agents / chemical synthesis*
  • Antineoplastic Agents / chemistry
  • Antineoplastic Agents / pharmacology
  • Catalysis
  • Cell Survival / drug effects
  • HCT116 Cells
  • Humans
  • Hydrazones / chemistry
  • Models, Molecular
  • Molecular Docking Simulation
  • Palladium / chemistry
  • Structure-Activity Relationship
  • Styrenes / chemical synthesis*
  • Styrenes / chemistry
  • Styrenes / pharmacology
  • Thiophenes / chemical synthesis*
  • Thiophenes / chemistry
  • Thiophenes / pharmacology
  • Tubulin / physiology*

Substances

  • Alkynes
  • Antineoplastic Agents
  • Hydrazones
  • Styrenes
  • Thiophenes
  • Tubulin
  • Palladium