On March 28, 2019, Dai, Weiyang; Samanta, Soma; Xue, Ding; Petrunak, Elyse M.; Stuckey, Jeanne A.; Han, Yanyan; Sun, Duxin; Wu, Yong; Neamati, Nouri published an article.Computed Properties of 2010-06-2 The title of the article was Structure-Based Design of N-(5-Phenylthiazol-2-yl)acrylamides as Novel and Potent Glutathione S-Transferase Omega 1 Inhibitors. And the article contained the following:
Using reported glutathione S-transferase omega 1 (GSTO1-1) cocrystal structures, we designed and synthesized acrylamide-containing compounds that covalently bind to Cys32 on the catalytic site. Starting from a thiazole derivative I (X = H, GSTO1-1 IC50 = 0.6 μM), compound I (X = Cl) was synthesized and cocrystd. with GSTO1. Modification on the amide moiety of hit compound I (X = H) significantly increased the GSTO1-1 inhibitory potency. We solved the cocrystal structures of new derivatives, 37 and 44, bearing an amide side chain bound to GSTO1. These new structures showed a reorientation of the Ph thiazole core of inhibitors, II and III, when compared to I (X = H). Guided by the cocrystal structure of GSTO1:III, analog IV was designed, resulting in the most potent GSTO1-1 inhibitor (IC50 = 0.22 ± 0.02 nM) known to date. We believe that our data will form the basis for future studies of developing GSTO1-1 as a new drug target for cancer therapy. The experimental process involved the reaction of 4-Phenylthiazol-2-amine(cas: 2010-06-2).Computed Properties of 2010-06-2
The Article related to phenylthiazolylacrylamide preparation anticancer glutathione transferase inhibitor, Heterocyclic Compounds (More Than One Hetero Atom): Thiazoles, Isothiazoles and other aspects.Computed Properties of 2010-06-2
Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica