2-Aryladenine derivatives as a potent scaffold for A, A and dual A/A adenosine receptor antagonists: Synthesis and structure-activity relationships.

From a collection containing more than 1500 academic compounds, in silico screening identified a hit for the human A adenosine receptor containing a new purine scaffold. To study the structure activity relationships of this new chemical series for adenosine receptors, a library of 24 purines was synthesized and tested in radioligand binding assays at human A, A, A and A adenosine receptor subtypes. Fourteen molecules showed potent antagonism at A, A or dual A/A adenosine receptors. This purine scaffold is an important source for novel biochemical tools and/or therapeutic drugs.