氟原子位置对氟代苯并硼恶唑性质的影响。

The influence of fluorine position on the properties of fluorobenzoxaboroles.

作者信息

Adamczyk-Woźniak Agnieszka, Cabaj Małgorzata K, Dominiak Paulina M, Gajowiec Patrycja, Gierczyk Błażej, Lipok Jacek, Popenda Łukasz, Schroeder Grzegorz, Tomecka Ewelina, Urbański Piotr, Wieczorek Dorota, Sporzyński Andrzej

机构信息

Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland.

Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.

出版信息

Bioorg Chem. 2015 Jun;60:130-5. doi: 10.1016/j.bioorg.2015.05.004. Epub 2015 May 14.

DOI:10.1016/j.bioorg.2015.05.004

PMID:26004751

Abstract

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.

摘要

5-氟-2,1-苯并氧杂硼杂环戊硼烷-1(3H)-醇，一种强效抗真菌药物，也被称为他氟硼酸盐或AN2690，已就其对几种真菌的活性以及pKa和多核核磁共振表征与其三种异构体进行了比较。测定了6-氟-2,1-苯并氧杂硼杂环戊硼烷-1(3H)-醇的分子和晶体结构，并与AN2690的结构进行了比较。