The influence of fluorine position on the properties of fluorobenzoxaboroles
5-Fluoro-2,1-benzoxaborol-1(3H)-ol, a potent antifungal drug also known as Tavaborole or AN2690, has been compared with its three isomers in terms of its activity against several fungi as well as pKa and multinuclear NMR characterization. The molecular and crystal structure of 6-fluoro-2,1-benzoxaborol-1(3H)-ol was determined and compared with that of AN2690.
CCDC 1027467: Experimental Crystal Structure Determination
Related Article: Agnieszka Adamczyk-Woźniak, Małgorzata K. Cabaj, Paulina M. Dominiak, Patrycja Gajowiec, Błażej Gierczyk, Jacek Lipok, Łukasz Popenda, Grzegorz Schroeder, Ewelina Tomecka, Piotr Urbański, Dorota Wieczorek, Andrzej Sporzyński|2015|Bioorg.Chem.|60|130|doi:10.1016/j.bioorg.2015.05.004