Quality Control of EthylbromofluoroacetateOn March 25, 2021, Fujimoto, Kazuki; Yoshida, Shuhei; Tadano, Genta; Asada, Naoya; Fuchino, Kouki; Suzuki, Shinji; Matsuoka, Eriko; Yamamoto, Takahiko; Yamamoto, Shiho; Ando, Shigeru; Kanegawa, Naoki; Tonomura, Yutaka; Ito, Hisanori; Moechars, Diederik; Rombouts, Frederik J. R.; Gijsen, Harrie J. M.; Kusakabe, Ken-ichi published an article in Journal of Medicinal Chemistry. The article was 《Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective β-Secretase (BACE1) Inhibitors over BACE2》. The article mentions the following:
BACE1 is an attractive target for disease-modifying treatment of Alzheimer′s disease. BACE2, having high homol. around the catalytic site, poses a critical challenge to identifying selective BACE1 inhibitors. Recent evidence indicated that BACE2 has various roles in peripheral tissues and the brain, and therefore, the chronic use of nonselective inhibitors may cause side effects derived from BACE2 inhibition. Crystallog. anal. of the nonselective inhibitor verubecestat identified explicit water mols. with different levels of free energy in the S2′ pocket. Structure-based design targeting them enabled the identification of propynyl oxazine 3 with improved selectivity. Further optimization efforts led to the discovery of compound 6 with high selectivity. The cocrystal structures of 7, a close analog of 6, bound to BACE1 and BACE2 confirmed that one of the explicit water mols. is displaced by the propynyl group, suggesting that the difference in the relative water displacement cost may contribute to the improved selectivity. After reading the article, we found that the author used Ethylbromofluoroacetate(cas: 401-55-8Quality Control of Ethylbromofluoroacetate)
Ethylbromofluoroacetate(cas: 401-55-8) is a member of organofluorine compounds. Organofluorine compounds, which have carbon-fluorine bonds, show unique features such as high thermal and chemical stability, high surface activity, no light-absorbing ability, high pharmacological effect, and so on. Owing to their specific characters, they are indispensable chemicals for industry and our daily lives.Quality Control of Ethylbromofluoroacetate
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary