Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors was written by Labadie, Sharada;Barrett, Kathy;Blair, Wade S.;Chang, Christine;Deshmukh, Gauri;Eigenbrot, Charles;Gibbons, Paul;Johnson, Adam;Kenny, Jane R.;Kohli, Pawan Bir;Liimatta, Marya;Lupardus, Patrick J.;Shia, Steven;Steffek, Micah;Ubhayakar, Savita;Abbema, Anne van;Zak, Mark. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2013.Computed Properties of C10H13ClN2O2 This article mentions the following:
A highly ligand efficient, novel 8-oxo-pyridopyrimidine containing inhibitor of Jak1 and Jak2 isoforms with a pyridone moiety as the hinge-binding motif was discovered. Structure-based design strategies were applied to significantly improve enzyme potency and the polarity of the mol. was adjusted to gain cellular activity. The crystal structures of two representative inhibitors bound to Jak1 were obtained to enable SAR exploration. In the experiment, the researchers used many compounds, for example, (2-Chloro-pyridin-3-yl)-carbamic acid tert-butyl ester (cas: 209798-48-1Computed Properties of C10H13ClN2O2).
(2-Chloro-pyridin-3-yl)-carbamic acid tert-butyl ester (cas: 209798-48-1) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the π-bonding aromatic system using its unhybridized p orbital. The lone pair is in an sp2 orbital, projecting outward from the ring in the same plane as the σ bonds. One of the examples of pyridines is the well-known alkaloid lithoprimidine, which is an A3 adenosine receptor antagonist and N,N-dimethylaminopyridine (DMAP) analog, commonly used in organic synthesis.Computed Properties of C10H13ClN2O2