摘要
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The title compound, 1-ethyl-2′-(furan-2-carbonyl)-1′-(furan-2-yl)-1′,2′,5′,6′,7′,7a′-hexahydrospiro [indoline-3,3′-pyrrolizin]-2-one ( 1 ), was synthesized via a one-pot multicomponent 1,3-dipolar cycloaddition reaction and the st...
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The title compound, 1-ethyl-2′-(furan-2-carbonyl)-1′-(furan-2-yl)-1′,2′,5′,6′,7′,7a′-hexahydrospiro [indoline-3,3′-pyrrolizin]-2-one ( 1 ), was synthesized via a one-pot multicomponent 1,3-dipolar cycloaddition reaction and the structure of the compound 1 was determined by IR,_(1)H NMR,_(13)C NMR, Mass spectrometry and single crystal X-ray diffraction method. The compound 1 crystallizes in the centrosymmetric monoclinic P 2~(1)/ n space group with unit cellparameters a ?=?13.9675(10)??, b ?=?9.1490(6)??, c ?=?16.6482(14)??, β ?=?104.529(4)° and a cell volume of 2059.42??_(3). The crystal structure shows the formation of two-dimensional (2D) layered structure. Each 2D layer was formed by individual enantiomers of the compound 1 . The target molecule was formed diastereoselectively via 1,3-dipolar cycloaddition reaction, which was evidenced from its crystal structure. In silico docking studies were carried out to evaluate anti-mycobacterial, anti-microbial and anti-cancer activities using corresponding proteins by using AutoDock Tools version 1.5.6 and AutoDock version 4.2.5.1 docking program. The compound 1 showed good activity against the proteins of mycobacterium tuberculosis (1V10?=???8.49?kcal/mol), bacterial (4MIO?=???8.64?kcal/mol) and moderate activity against cancer protein (4L9K?=???3.63?kcal/mol). Graphical Abstract The title compound, 1-ethyl-2′-(furan-2-carbonyl)-1′-(furan-2-yl)-1′,2′,5′,6′,7′,7a′-hexahydrospiro[indoline-3,3′-pyrrolizin]-2-one ( 1 ), crystallizes in the centrosymmetric monoclinic P 2~(1)/ n space group. The crystal structure shows the formation of two-dimensional (2D) layered structure. The target molecule was formed diastereoselectively via 1,3-dipolar cycloaddition reaction, which was evidenced from its crystal structure. Docking studies reveal that the compound 1 showed good activity against the proteins of mycobacterium tuberculosis (1V10?=???8.49?kcal/mol), bacterial (4MIO?=???8.64?kcal/mol) and moderate activity
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