In 2022,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 published an article in ACS Medicinal Chemistry Letters. The title of the article was 《Design and Evaluation of Bispidine-Based SARS-CoV-2 Main Protease Inhibitors》.Safety of Benzyl 2-bromoacetate The author mentioned the following in the article:
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 1-10μM, 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.Benzyl 2-bromoacetate(cas: 5437-45-6Safety of Benzyl 2-bromoacetate) was used in this study.
Benzyl 2-bromoacetate(cas: 5437-45-6) belongs to benzyl acetate. Benzyl acetate is a synthetic chemical produced for industry from benzyl alcohol and acetic acid, but is also naturally present in the essential oils of many plants, including jasmine and ylang ylang.Safety of Benzyl 2-bromoacetate
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary