The critical parameters of pyridine are pressure 6.70 MPa, temperature 620 K and volume 229 cm3·mol−1. 766-11-0, formula is C5H3BrFN, Name is 5-Bromo-2-fluoropyridine. In the temperature range 340–426 °C its vapor pressure p can be described with the Antoine equation.. SDS of cas: 766-11-0.
Zhang, Chun-Hui;Stone, Elizabeth A.;Deshmukh, Maya;Ippolito, Joseph A.;Ghahremanpour, Mohammad M.;Tirado-Rives, Julian;Spasov, Krasimir A.;Zhang, Shuo;Takeo, Yuka;Kudalkar, Shalley N.;Liang, Zhuobin;Isaacs, Farren;Lindenbach, Brett;Miller, Scott J.;Anderson, Karen S.;Jorgensen, William L. research published 《 Potent noncovalent inhibitors of the main protease of SARS-CoV-2 from molecular sculpting of the drug perampanel guided by free energy perturbation calculations》, the research content is summarized as follows. Starting from our previous finding of 14 known drugs as inhibitors of the main protease (Mpro) of SARS-CoV-2, the virus responsible for COVID-19, we have redesigned the weak hit perampanel to yield multiple noncovalent, nonpeptidic inhibitors with ca. 20 nM IC50 values in a kinetic assay. Free-energy perturbation (FEP) calculations for Mpro-ligand complexes provided valuable guidance on beneficial modifications that rapidly delivered the potent analogs. The design efforts were confirmed and augmented by determination of high-resolution X-ray crystal structures for five analogs bound to Mpro. Results of cell-based antiviral assays further demonstrated the potential of the compounds for treatment of COVID-19. In addition to the possible therapeutic significance, the work clearly demonstrates the power of computational chem. for drug discovery, especially FEP-guided lead optimization.
766-11-0, 5-Bromo-2-fluoropyridine is a useful research compound. Its molecular formula is C5H3BrFN and its molecular weight is 175.99 g/mol. The purity is usually 95%.
5-Bromo-2-fluoropyridine is a boronic acid that has been shown to react with iodides and form 5-bromo-2-fluoroiodobenzene. The reaction of 5-bromo-2-fluoropyridine with benzene gives the same product as the reaction with 1,3,5-trioxane. The UV absorption of 5-bromo-2-fluoropyridine is found at 230 nm and 260 nm. It also has an absorption band in the infrared region at 1625 cm−1. Vibrational progressions have been observed for this molecule, which are due to dipole moments and electron density distributions in the molecule.
5-bromo-2-fluoropyridine is used in the synthesis of heteroaromatic and aniline derivatives of piperidines as potent ligands used for vesicular acetylcholine transport. , SDS of cas: 766-11-0