Dual targeting of adenosine A(2A) receptors and monoamine oxidase B by 4H-3,1-benzothiazin-4-ones

J Med Chem. 2013 Jun 13;56(11):4580-96. doi: 10.1021/jm400336x. Epub 2013 May 30.

Abstract

Blockade of A2A adenosine receptors (A2AARs) and inhibition of monoamine oxidase B (MAO-B) in the brain are considered attractive strategies for the treatment of neurodegenerative diseases such as Parkinson's disease (PD). In the present study, benzothiazinones, e.g., 2-(3-chlorophenoxy)-N-(4-oxo-4H-3,1-benzothiazin-2-yl)acetamide (13), were identified as a novel class of potent MAO-B inhibitors (IC50 human MAO-B: 1.63 nM). Benzothiazinones with large substituents in the 2-position, e.g., methoxycinnamoylamino, phenylbutyrylamino, or chlorobenzylpiperazinylbenzamido residues (14, 17, 27, and 28), showed high affinity and selectivity for A2AARs (Ki human A2AAR: 39.5-69.5 nM). By optimizing benzothiazinones for both targets, the first potent, dual-acting A2AAR/MAO-B inhibitors with a nonxanthine structure were developed. The best derivative was N-(4-oxo-4H-3,1-benzothiazin-2-yl)-4-phenylbutanamide (17, Ki human A2A, 39.5 nM; IC50 human MAO-B, 34.9 nM; selective versus other AR subtypes and MAO-A), which inhibited A2AAR-induced cAMP accumulation and showed competitive, reversible MAO-B inhibition. The new compounds may be useful tools for validating the A2AAR/MAO-B dual target approach in PD.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Adenosine A2 Receptor Antagonists / chemical synthesis*
  • Adenosine A2 Receptor Antagonists / chemistry
  • Adenosine A2 Receptor Antagonists / pharmacology
  • Animals
  • Benzothiadiazines / chemical synthesis*
  • Benzothiadiazines / chemistry
  • Benzothiadiazines / pharmacology
  • Brain / drug effects
  • Brain / metabolism
  • CHO Cells
  • Cricetinae
  • Cricetulus
  • Cyclic AMP / biosynthesis
  • Humans
  • In Vitro Techniques
  • Isoenzymes / antagonists & inhibitors
  • Liver / drug effects
  • Liver / enzymology
  • Monoamine Oxidase / metabolism
  • Monoamine Oxidase Inhibitors / chemical synthesis*
  • Monoamine Oxidase Inhibitors / chemistry
  • Monoamine Oxidase Inhibitors / pharmacology
  • Phenylbutyrates / chemical synthesis*
  • Phenylbutyrates / chemistry
  • Phenylbutyrates / pharmacology
  • Radioligand Assay
  • Rats
  • Rats, Sprague-Dawley
  • Receptor, Adenosine A2A / metabolism*
  • Stereoisomerism
  • Structure-Activity Relationship
  • Thiazines / chemical synthesis*
  • Thiazines / chemistry
  • Thiazines / pharmacology

Substances

  • Adenosine A2 Receptor Antagonists
  • Benzothiadiazines
  • Isoenzymes
  • Monoamine Oxidase Inhibitors
  • N-(4-oxo-4H-3,1-benzothiazin-2-yl)-4-phenylbutanamide
  • Phenylbutyrates
  • Receptor, Adenosine A2A
  • Thiazines
  • Cyclic AMP
  • Monoamine Oxidase