Novel 3-Amino-6-chloro-7-azol-2 or 5-yl-1,1-dioxo-1,4,2-benzodithiazine Derivatives with Anticancer Activity: Synthesis and QSAR StudyReport as inadecuate




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Department of Organic Chemistry, Medical University of Gdańsk, Al. Gen. J. Hallera 107, 80-416 Gdańsk, Poland

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Department of Pharmaceutical Chemistry, Medical University of Gdańsk, Al. Gen. J. Hallera 107, 80-416 Gdańsk, Poland





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Academic Editors: Jean Jacques Vanden Eynde and Annie Mayence

Abstract A series of new 3-amino-6-chloro-7-azol-2 or 5-yl-1,1-dioxo-1,4,2-benzodithiazine derivatives 5a–j have been synthesized and evaluated in vitro for their antiproliferative activity at the U.S. National Cancer Institute. The most active compound 5h showed significant cytotoxic effects against ovarian OVCAR-3 and breast MDA-MB-468 cancer 10% and 47% cancer cell death, respectively as well as a good selectivity toward prostate DU-145, colon SW-620 and renal TK-10 cancer cell lines. To obtain a deeper insight into the structure-activity relationships of the new compounds 5a–j QSAR studies have been applied. Theoretical calculations allowed the identification of molecular descriptors belonging to the RDF RDF055p and RDF145m in the MOLT-4 and UO-31 QSAR models, respectively and 3D-MorSE Mor32m and Mor16e for MOLT-4 and UO-31 QSAR models descriptor classes. Based on these data, QSAR models with good robustness and predictive ability have been obtained. View Full-Text

Keywords: 1,4,2-benzodithiazines; sulfonamide; QSAR; anticancer activity 1,4,2-benzodithiazines; sulfonamide; QSAR; anticancer activity





Author: Aneta Pogorzelska 1,* , Jarosław Sławiński 1, Kamil Brożewicz 1, Szymon Ulenberg 2 and Tomasz Bączek 2

Source: http://mdpi.com/



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