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Synthesis and Evaluations of "1,4-Triazolyl Combretacoumarins" and Desmethoxy Analogues.
Khandaker, Tashrique A; Hess, Jessica D; Aguilera, Renato; Andrei, Graciela; Snoeck, Robert; Schols, Dominique; Pradhan, Padmanava; Lakshman, Mahesh K.
Afiliación
  • Khandaker TA; Department of Chemistry and Biochemistry, The City College of New York, 160 Convent Avenue, New York, NY 10031, USA.
  • Hess JD; Department of Biological Sciences, Border Biomedical Research Center, The University of Texas at El Paso, El Paso, TX 79968, USA.
  • Aguilera R; Department of Biological Sciences, Border Biomedical Research Center, The University of Texas at El Paso, El Paso, TX 79968, USA.
  • Andrei G; Department of Microbiology and Immunology, Rega Institute of Medical Research, Herestraat 49 - Box 1043, 3000 Leuven, Leuven, Belgium.
  • Snoeck R; Department of Microbiology and Immunology, Rega Institute of Medical Research, Herestraat 49 - Box 1043, 3000 Leuven, Leuven, Belgium.
  • Schols D; Department of Microbiology and Immunology, Rega Institute of Medical Research, Herestraat 49 - Box 1043, 3000 Leuven, Leuven, Belgium.
  • Pradhan P; Department of Chemistry and Biochemistry, The City College of New York, 160 Convent Avenue, New York, NY 10031, USA.
  • Lakshman MK; Department of Chemistry and Biochemistry, The City College of New York, 160 Convent Avenue, New York, NY 10031, USA.
European J Org Chem ; 2019(33): 5610-5623, 2019 Sep 08.
Article en En | MEDLINE | ID: mdl-31579393
1,4-Triazolyl combretacoumarins have been prepared by linking the trimethoxyarene unit of combretastatin A4 with coumarins, via a 1,2,3-triazole. For this, 4-azidocoumarins were accessed by a sequential two-step, one-pot reaction of 4-hydroxycoumarins with (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate (BOP), followed by reaction with NaN3. In the reaction with BOP, a coumarin-derived phosphonium ion intermediate seems to form, leading to an O 4-(benzotriazolyl)coumarin derivative. For the CuAAC reaction of azidocoumarins with 5-ethynyl-1,2,3-trimethoxybenzene, catalytic [(MeCN)4Cu]PF6 in CH2Cl2/MeOH with 2,6-lutidine, at 50 °C, was suitable. The 4-azidocoumarins were less reactive as compared to PhN3 and the NBO coefficients of the azido groups were compared by DFT analysis. Compound solubility was a problem in biological assays. On the basis of the biological and solubility data of one 1,4-triazolyl combretacoumarin, four analogues lacking one or two methoxy groups were synthesized. Reactivity differences among the phenylacetylenes were noted and the NBO coefficients of the alkynes were compared by DFT analysis. In antiproliferative assays, 1-phenyl-4-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole showed activity in CEM and MDA-MB-231 cell lines, possibly by apoptosis. The desmethoxy 6-bromo-4-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one also showed cytotoxicity against the two cell lines, but this did not appear to be consistent with apoptosis. The antiviral activity of the compounds was unremarkable.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: European J Org Chem Año: 2019 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Alemania

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: European J Org Chem Año: 2019 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Alemania