Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation.
作者： Tamira Eckhardt , Richard Goddard , Christoph Lehmann , Adrian Richter , Henok Asfaw Sahile
DOI: 10.1107/S2053229620010931
关键词: Oxide 、 Chemistry 、 Crystallography 、 Benzisothiazolinone 、 Crystal structure 、 Sulfone 、 Sulfoxide
摘要: 1, 3-Benzothiazin-4-ones (BTZs) are a promising new class of drugs with activity against Mycobacterium tuberculosis, which have already reached clinical trials. A product obtained …
mpg.de
sci-hub.st 参考文章(20)
George M. Sheldrick, Crystal structure refinement with SHELXL Acta Crystallographica Section C-crystal Structure Communications. ,vol. 71, pp. 3- 8 ,(2015) , 10.1107/S2053229614024218
Rohit Tiwari, Garrett C. Moraski, Viktor Krchňák, Patricia A. Miller, Mariangelli Colon-Martinez, Eliza Herrero, Allen G. Oliver, Marvin J. Miller, Thiolates Chemically Induce Redox Activation of BTZ043 and Related Potent Nitroaromatic Anti-Tuberculosis Agents Journal of the American Chemical Society. ,vol. 135, pp. 3539- 3549 ,(2013) , 10.1021/JA311058Q
Ja´nos Szabo´, Erzse´bet Szu¨cs, Lajos Fodor, A´gnes Kato´cs, Gabor Bernath, Pal Sohar, Ring Transformations of 1,3 -Benzothiazines, 51 synthesis of benzisothiazoles by the oxidative ring contraction of 2-aryl-4H-and 4-ARYL-2H-1,3-benzothiazines Tetrahedron. ,vol. 44, pp. 2985- 2992 ,(1988) , 10.1016/S0040-4020(88)90037-3
Frank H. Allen, Owen Johnson, Gregory P. Shields, Barry R. Smith, Matthew Towler, CIF applications. XV. enCIFer: a program for viewing, editing and visualizing CIFs Journal of Applied Crystallography. ,vol. 37, pp. 335- 338 ,(2004) , 10.1107/S0021889804003528
Kirsty M. Steed, Jonathan W. Steed, Packing Problems: High Z′ Crystal Structures and Their Relationship to Cocrystals, Inclusion Compounds, and Polymorphism Chemical Reviews. ,vol. 115, pp. 2895- 2933 ,(2015) , 10.1021/CR500564Z
Simon P. Westrip, publCIF: software for editing, validating and formatting crystallographic information files Journal of Applied Crystallography. ,vol. 43, pp. 920- 925 ,(2010) , 10.1107/S0021889810022120
Robert J. Baker, Paula E. Colavita, Deirdre M. Murphy, James A. Platts, John D. Wallis, Fluorine-fluorine interactions in the solid state: an experimental and theoretical study. Journal of Physical Chemistry A. ,vol. 116, pp. 1435- 1444 ,(2012) , 10.1021/JP2099976
Rohit Tiwari, Patricia A. Miller, Sanghyun Cho, Scott G. Franzblau, Marvin J. Miller, Syntheses and Antituberculosis Activity of 1,3-Benzothiazinone Sulfoxide and Sulfone Derived from BTZ043. ACS Medicinal Chemistry Letters. ,vol. 6, pp. 128- 133 ,(2015) , 10.1021/ML5003458
Rachel M. Novick, Mindy L. Nelson, Kenneth M. Unice, James J. Keenan, Dennis J. Paustenbach, Estimation of the safe use concentrations of the preservative 1,2-benzisothiazolin-3-one (BIT) in consumer cleaning products and sunscreens Food and Chemical Toxicology. ,vol. 56, pp. 60- 66 ,(2013) , 10.1016/J.FCT.2013.02.006
Katarina Miku.sova, Vadim Makarov, Joao Neres, DprE1--from the discovery to the promising tuberculosis drug target. Current Pharmaceutical Design. ,vol. 20, pp. 4379- 4403 ,(2013) , 10.2174/138161282027140630122724