Discovery of Potent Irreversible Pan-Fibroblast Growth Factor Receptor (FGFR) Inhibitors was written by Wang, Yuming;Li, Lijun;Fan, Jun;Dai, Yang;Jiang, Alan;Geng, Meiyu;Ai, Jing;Duan, Wenhu. And the article was included in Journal of Medicinal Chemistry in 2018.Computed Properties of C9H8OS This article mentions the following:
Fibroblast growth factor receptors (FGFR1-4) are promising therapeutic targets in many cancers. With the resurgence of interest in irreversible inhibitors, efforts have been directed to the discovery of irreversible FGFR inhibitors. Currently, several selective irreversible inhibitors are being evaluated in clin. trials that could covalently target a conserved cysteine in the P-loop of FGFR. In this article, the authors used a structure-guided approach that is rationalized by a computer-aided simulation to discover the novel and irreversible pan-FGFR inhibitor, 9g ((S)-1-(3-(4-amino-5-(7-methoxy-5-methylbenzo[b]thien-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidin-1-yl)prop-2-en-1-one), which provided superior FGFR in vitro activities and decent selectivity over VEGFR2 (vascular endothelia growth factor receptor 2). In in vivo studies, 9g displayed clear antitumor activities in NCI-H1581 and SNU-16 xenograft mice models. Addnl., the diluting method confirmed the irreversible binding of 9g to FGFR. In the experiment, the researchers used many compounds, for example, 6-Methoxybenzo[b]thiophene (cas: 90560-10-4Computed Properties of C9H8OS).
6-Methoxybenzo[b]thiophene (cas: 90560-10-4) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The core structure is a part of various pharmaceutical substances and natural products. Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization.Computed Properties of C9H8OS
Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem