New tacrine-4-oxo-4H-chromene hybrids as multifunctional agents for the treatment of Alzheimer's disease, with cholinergic, antioxidant, and β-amyloid-reducing properties

J Med Chem. 2012 Feb 9;55(3):1303-17. doi: 10.1021/jm201460y. Epub 2012 Jan 27.

Abstract

By using fragments endowed with interesting and complementary properties for the treatment of Alzheimer's disease (AD), a new family of tacrine-4-oxo-4H-chromene hybrids has been designed, synthesized, and evaluated biologically. The tacrine fragment was selected for its inhibition of cholinesterases, and the flavonoid scaffold derived from 4-oxo-4H -chromene was chosen for its radical capture and β-secretase 1 (BACE-1) inhibitory activities. At nano- and picomolar concentrations, the new tacrine-4-oxo-4H-chromene hybrids inhibit human acetyl- and butyrylcholinesterase (h-AChE and h-BuChE), being more potent than the parent inhibitor, tacrine. They are also potent inhibitors of human BACE-1, better than the parent flavonoid, apigenin. They show interesting antioxidant properties and could be able to penetrate into the CNS according to the in vitro PAMPA-BBB assay. Among the hybrids investigated, 6-hydroxy-4-oxo- N-{10-[(1,2,3,4-tetrahydroacridin-9-yl)amino]decyl}-4 H-chromene-2-carboxamide (19) shows potent combined inhibition of human BACE-1 and ChEs, as well as good antioxidant and CNS-permeable properties.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Acetylcholinesterase / chemistry
  • Alzheimer Disease / drug therapy*
  • Amyloid Precursor Protein Secretases / antagonists & inhibitors
  • Amyloid beta-Peptides / metabolism*
  • Animals
  • Antioxidants / chemical synthesis*
  • Antioxidants / chemistry
  • Antioxidants / pharmacology
  • Aspartic Acid Endopeptidases / antagonists & inhibitors
  • Benzopyrans / chemical synthesis*
  • Benzopyrans / chemistry
  • Benzopyrans / pharmacology
  • Blood-Brain Barrier / metabolism
  • Butyrylcholinesterase / chemistry
  • Catalytic Domain
  • Cattle
  • Cholinesterase Inhibitors / chemical synthesis*
  • Cholinesterase Inhibitors / chemistry
  • Cholinesterase Inhibitors / pharmacology
  • Chromones / chemical synthesis*
  • Chromones / chemistry
  • Chromones / pharmacology
  • Free Radical Scavengers / chemical synthesis
  • Free Radical Scavengers / chemistry
  • Free Radical Scavengers / pharmacology
  • Humans
  • Membranes, Artificial
  • Permeability
  • Structure-Activity Relationship
  • Tacrine / analogs & derivatives*
  • Tacrine / chemical synthesis*
  • Tacrine / chemistry
  • Tacrine / pharmacology

Substances

  • 6-hydroxy-4-oxo-N-(10-((1,2,3,4-tetrahydroacridin-9-yl)amino)decyl)-4H-chromene-2-carboxamide
  • Amyloid beta-Peptides
  • Antioxidants
  • Benzopyrans
  • Cholinesterase Inhibitors
  • Chromones
  • Free Radical Scavengers
  • Membranes, Artificial
  • Tacrine
  • Acetylcholinesterase
  • Butyrylcholinesterase
  • Amyloid Precursor Protein Secretases
  • Aspartic Acid Endopeptidases
  • BACE1 protein, human