Synthesis of Verubecestat, a BACE1 Inhibitor for the Treatment of Alzheimer's Disease

Org Lett. 2016 Nov 18;18(22):5780-5783. doi: 10.1021/acs.orglett.6b01793. Epub 2016 Nov 4.

Abstract

Verubecestat is an inhibitor of β-secretase being evaluated for the treatment of Alzheimer's disease. The first-generation route relies on an amide coupling with a functionalized aniline, the preparation of which introduces synthetic inefficiencies. The second-generation route replaces this with a copper-catalyzed C-N coupling, allowing for more direct access to the target. Other features of the new route include a diastereoselective Mannich-type addition into an Ellman sulfinyl ketimine and a late-stage guanidinylation.

MeSH terms

  • Alzheimer Disease / drug therapy*
  • Alzheimer Disease / metabolism
  • Amyloid Precursor Protein Secretases / antagonists & inhibitors*
  • Aspartic Acid Endopeptidases / antagonists & inhibitors*
  • Catalysis
  • Chemistry Techniques, Synthetic
  • Copper / chemistry
  • Cyclic S-Oxides / chemical synthesis*
  • Cyclic S-Oxides / chemistry
  • Humans
  • Molecular Structure
  • Thiadiazines / chemical synthesis*
  • Thiadiazines / chemistry

Substances

  • Cyclic S-Oxides
  • Thiadiazines
  • Copper
  • Amyloid Precursor Protein Secretases
  • Aspartic Acid Endopeptidases
  • BACE1 protein, human
  • verubecestat