Revisiting the addition reaction of TeCl4 to alkynes: The crystal structure and docking studies of 1-chloro-2-trichlorotelluro-3-phenyl-propen-2-ol |
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Authors: | Rodrigo LOR Cunha Julio Zukerman-Schpector João V Comasseto |
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Institution: | a Instituto de Química, Universidade de São Paulo, Av. Prof. Lineu Prestes, 748 - CEP 05508-900, São Paulo, SP, Brazil b Laboratório de Cristalografia, Estereodinâmica e Modelagem Molecular, Universidade Federal de São Carlos, Departamento de Química, C.P. 676, 13565-905 São Carlos, SP, Brazil c Departamento de Física, Faculdade de Ciências - UNESP/Bauru, SP, Brazil |
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Abstract: | Tellurium tetrachloride adds to alkynes via two pathways: a concerted syn addition, that yields Z-tri- and tetra-substituted alkenes or by an anti addition that yields E-alkenes. The mechanistic aspects of these divergent pathways have been reevaluated at the light of crystallographic data. The molecules, of the title compound, in the crystal, are associated in a helical fashion with a Te…Te pitch of 6.3492(6) Å. As it exhibits inhibitory activity for cathepsin B and in order to gain more insight of the inhibition mechanism, a docking study was undertaken providing insight on why organic telluranes are more efficient inhibitors than inorganic ones as AS-101. |
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Keywords: | Tellurium tetrachloride Electrophilic addition Docking Cathepsin B Supramolecular self-assembly |
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