Discovery of the Bruton’s Tyrosine Kinase Inhibitor Clinical Candidate TAK-020 (S)-5-(1-((1-Acryloylpyrrolidin-3-yl)oxy)isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, by Fragment-Based Drug Design was written by Sabat, Mark;Dougan, Douglas R.;Knight, Beverly;Lawson, J. David;Scorah, Nicholas;Smith, Christopher R.;Taylor, Ewan R.;Vu, Phong;Wyrick, Corey;Wang, Haixia;Balakrishna, Deepika;Hixon, Mark;Madakamutil, Loui;McConn, Donavon. And the article was included in Journal of Medicinal Chemistry in 2021.Recommanded Product: 1620-76-4 This article mentions the following:
This publication details the successful use of FBDD (fragment-based drug discovery) principles in the invention of a novel covalent Bruton’s tyrosine kinase inhibitor, which ultimately became the Takeda Pharmaceuticals clin. candidate TAK-020. Described herein are the discovery of the fragment 5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one, the subsequent optimization of this hit mol. to the candidate, and synthesis and performance in pharmacodynamic and efficacy models along with direct biophys. comparison of TAK-020 with other clin.-level assets and the marketed drug Ibrutinib. In the experiment, the researchers used many compounds, for example, 4-Methylpicolinonitrile (cas: 1620-76-4Recommanded Product: 1620-76-4).
4-Methylpicolinonitrile (cas: 1620-76-4) belongs to pyridine derivatives. Pyridine has a conjugated system of six π electrons that are delocalized over the ring. The molecule is planar and, thus, follows the Hückel criteria for aromatic systems. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Recommanded Product: 1620-76-4