Synthesis,Crystal Structure and Antitumor Activity of 6-Chloro-1-((6-chloropyridin-3-yl)methyl)-3-phenyl-1H-benzofuro[3,2-c]pyrazole  

作　　者：史修东 葛冰琛 徐江平 周中振 

机构地区：[1]Neuropharmacology Group,School of Pharmaceutical Sciences,Southern Medical University [2]Key Laboratory of New Drug Screening of Guangdong Province,School of Pharmaceutical Sciences,Southern Medical University

出　　处：《Chinese Journal of Structural Chemistry》2016年第1期34-38,共5页结构化学（英文）

基　　金：supported by the National Natural Science Foundation of China(No.21002048);the Project of Outstanding Young Teachers in Guangdong Province(No.C1032190)

摘　　要：The title compound 6-chloro-l-（（6-chloropyridin-3-yl）methyl）-3-phenyl-lH-benzofuro[3,2-c]pyrazole（5,C21H13Cl2N3O,Mr = 394.26） was synthesized and characterized by elemental analysis,^1H NMR,^13C NMR and X-ray single-crystal diffraction.The structure reveals that the crystal belongs to the triclinic system,space group P1 with a = 7.8829（8）,b = 10.3281（10）,c = 11.7615（12）A°,α = 83.5552（2）,β = 79.921（2）,γ = 70.189（2）°,V= 885.54（15） A°3,Z = 2,Dc =1.479 g/cm^3,μ = 0.383 mm^-1,F（000） = 404,R = 0.0538 and wR = 0.1335 for 2453 observed reflections with I 〉 2σ（I）.The result reveals that the crystal structure of the title compound 5 is stabilized by three C-Cl…π interactions and π…π stacking interaction.In addition,the preliminary investigation showed that 5 exhibits remarkably good antitumor activity against the MCF-7 and A549 cell lines.The title compound 6-chloro-l-（（6-chloropyridin-3-yl）methyl）-3-phenyl-lH-benzofuro[3,2-c]pyrazole（5,C21H13Cl2N3O,Mr = 394.26） was synthesized and characterized by elemental analysis,^1H NMR,^13C NMR and X-ray single-crystal diffraction.The structure reveals that the crystal belongs to the triclinic system,space group P1 with a = 7.8829（8）,b = 10.3281（10）,c = 11.7615（12）A°,α = 83.5552（2）,β = 79.921（2）,γ = 70.189（2）°,V= 885.54（15） A°3,Z = 2,Dc =1.479 g/cm^3,μ = 0.383 mm^-1,F（000） = 404,R = 0.0538 and wR = 0.1335 for 2453 observed reflections with I 〉 2σ（I）.The result reveals that the crystal structure of the title compound 5 is stabilized by three C-Cl…π interactions and π…π stacking interaction.In addition,the preliminary investigation showed that 5 exhibits remarkably good antitumor activity against the MCF-7 and A549 cell lines.

关 键 词：benzofuro[3 2-c]pyrazole synthesis crystal structure antitumor activity 

分 类 号：O626[理学—有机化学] TQ460.1[理学—化学]