Discovery of unsymmetrical aromatic disulfides as novel inhibitors of SARS-CoV main protease: Chemical synthesis, biological evaluation, molecular docking and 3D-QSAR study was written by Wang, Li;Bao, Bo-Bo;Song, Guo-Qing;Chen, Cheng;Zhang, Xu-Meng;Lu, Wei;Wang, Zefang;Cai, Yan;Li, Shuang;Fu, Sheng;Song, Fu-Hang;Yang, Haitao;Wang, Jian-Guo. And the article was included in European Journal of Medicinal Chemistry in 2017.Quality Control of Ethyl 2-mercapto-1H-imidazole-4-carboxylate This article mentions the following:
The worldwide outbreak of severe acute respiratory syndrome (SARS) in 2003 had caused a high rate of mortality. Main protease (Mpro) of SARS-associated coronavirus (SARS-CoV) is an important target to discover pharmaceutical compounds for the therapy of this life-threatening disease. During the course of screening new anti-SARS agents, a series of unsym. aromatic disulfides inhibited SARS-CoV Mpro significantly for the first time have been identified. Novel unsym. aromatic disulfides R1SSR2 [R1 = 1,3-thiazol-2-ylsulfanyl, 1,3,4-oxadiazol-2-ylsulfanyl, pyrimidin-2-ylsulfanyl, etc.; R2 = phenylsulfanyl, 4-bromophenylsulfanyl, [2-(methoxycarbonyl)phenyl]sulfanyl, etc.] were synthesized chem. and their biol. activities were evaluated in vitro against SARS-CoV Mpro. These novel compounds displayed excellent IC50 data in the range of 0.516-5.954 μM. Preliminary studies indicated that these disulfides are reversible and competitive inhibitors. A possible binding mode was generated via mol. docking simulation and a comparative field anal. (CoMFA) model was constructed to understand the structure-activity relationships. The present research therefore has provided some meaningful guidance to design and identify anti-SARS drugs with totally new chem. structures. In the experiment, the researchers used many compounds, for example, Ethyl 2-mercapto-1H-imidazole-4-carboxylate (cas: 64038-64-8Quality Control of Ethyl 2-mercapto-1H-imidazole-4-carboxylate).
Ethyl 2-mercapto-1H-imidazole-4-carboxylate (cas: 64038-64-8) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).Quality Control of Ethyl 2-mercapto-1H-imidazole-4-carboxylate
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem