{"id":12008,"date":"2023-01-05T03:46:11","date_gmt":"2023-01-04T19:46:11","guid":{"rendered":"https:\/\/www.pyrazoles-derivatives.com\/?p=12008"},"modified":"2023-01-05T03:46:11","modified_gmt":"2023-01-04T19:46:11","slug":"shcherbakov-dmitriy-et-al-published-their-research-in-acs-medicinal-chemistry-letters-in-2022-cas-10199-53-8","status":"publish","type":"post","link":"https:\/\/www.pyrazoles-derivatives.com\/?p=12008","title":{"rendered":"Shcherbakov, Dmitriy et al. published their research in ACS Medicinal Chemistry Letters in 2022 | CAS: 10199-53-8"},"content":{"rendered":"

Design and Evaluation of Bispidine-Based SARS-CoV-2 Main Protease Inhibitors was written by Shcherbakov, Dmitriy;Baev, Dmitriy;Kalinin, Mikhail;Dalinger, Alexander;Chirkova, Varvara;Belenkaya, Svetlana;Khvostov, Aleksei;Krut’ko, Dmitry;Medved’ko, Aleksei;Volosnikova, Ekaterina;Sharlaeva, Elena;Shanshin, Daniil;Tolstikova, Tatyana;Yarovaya, Olga;Maksyutov, Rinat;Salakhutdinov, Nariman;Vatsadze, Sergey. And the article was included in ACS Medicinal Chemistry Letters in 2022.Safety of 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid<\/a> This article mentions the following:<\/p>\n

For the first time, derivatives of 3,7-diazabicyclo[3.3.1]nonane (bispidine) were proposed as potential inhibitors of the SARS-CoV-2 main viral protease (3-chymotrypsin-like, 3CLpro). Based on the created pharmacophore model of the active site of the protease, a group of compounds were modeled and tested for activity against 3CLpro. The 3CLpro activity was measured using the fluorogenic substrate Dabcyl-VNSTLQSGLRK(FAM)MA; the efficiency of the proposed approach was confirmed by comparison with literature data for ebselen and disulfiram. The results of the experiments performed with bispidine compounds showed that 14 compounds exhibited activity in the concentration range 1-10\u03bcM, and 3 samples exhibited submicromolar activity. The structure-activity relationship studies showed that the mols. containing a carbonyl group in the ninth position of the bicycle exhibited the maximum activity. Based on the exptl. and theor. results obtained, further directions for the development of this topic were proposed. In the experiment, the researchers used many compounds, for example, 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid (cas: 10199-53-8Safety of 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid<\/a>).<\/p>\n

1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid (cas: 10199-53-8) belongs to pyrazole derivatives. Pyrazoles, a five-membered heterocycle containing two adjacent nitrogen atoms, are the core structures found in a number of molecules that possess a wide range of pharmaceutical and agricultural activities. Protonation of pyrazole in strong acid leads to pyrazolium cations, which undergo electrophilic substitution preferentially at C3 rather than C4. The pyrazole anion is not reactive toward nucleophiles but is mostly reactive to electrophiles.Safety of 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid<\/a><\/p>\n

Referemce:
Pyrazole – Wikipedia<\/a>,
Pyrazoles – an overview | ScienceDirect Topics<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid (cas: 10199-53-8) belongs to pyrazole derivatives. Pyrazoles, a five-membered heterocycle containing two adjacent nitrogen atoms, are the core structures found in a number of molecules that possess a wide range of pharmaceutical and agricultural activities. Protonation of pyrazole in strong acid leads to pyrazolium cations, which undergo electrophilic substitution preferentially at C3 rather than C4. The pyrazole anion is not reactive toward nucleophiles but is mostly reactive to electrophiles.Safety of 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid<\/a><\/p>\n","protected":false},"author":8,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[131],"tags":[129],"class_list":["post-12008","post","type-post","status-publish","format-standard","hentry","category-pyrazoles-derivatives","tag-200-300"],"yoast_head":"\nShcherbakov, Dmitriy et al. published their research in ACS Medicinal Chemistry Letters in 2022 | CAS: 10199-53-8 | pyrazoles-derivatives<\/title>\n<meta name=\"description\" content=\"Design and Evaluation of Bispidine-Based SARS-CoV-2 Main Protease Inhibitors was written by Shcherbakov, Dmitriy;Baev, Dmitriy;Kalinin, Mikhail;Dalinger, Alexander;Chirkova, Varvara;Belenkaya, Svetlana;Khvostov, Aleksei;Krut'ko, Dmitry;Medved'ko, Aleksei;Volosnikova, Ekaterina;Sharlaeva, Elena;Shanshin, Daniil;Tolstikova, Tatyana;Yarovaya, Olga;Maksyutov, Rinat;Salakhutdinov, Nariman;Vatsadze, Sergey. 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