The research article A Potent and Selective Janus Kinase Inhibitor with a Chiral 3D‐Shaped Triquinazine Ring System from Chemical Space just got published in Angewandte Chemie!

The Generated DataBases (GDBs) enumerate billions of possible molecules following simple rules of chemical stability and synthetic feasibility. Exploring the GDBs shows that many chiral, 3D‐shaped ring systems, often containing quaternary centers, have never been exploited for drug design. Herein we show that such ring systems can be useful for medicinal chemistry at the example of the enantioselective synthesis of triquinazine, a novel chiral piperazine analog derived from angular triquinane, and it’s use to design a nanomolar and selective inhibitor of Janus Kinase 1 related to the marketed drug Tofacitinib useful to treat auto‐immune diseases.

Author(s): Kris Meier, Josep Arús-Pous, Jean-Louis Reymond