2-((2-氧代丙基)硒基)- N -(2,4,6 -三甲基)苯甲酰胺的合成、 晶体结构及抑癌活性  

Synthesis,Crystal Structure and Anticancer Activity of 2-((2-Oxopropyl)selanyl)-N-(2,4,6-trimethyl)Benzamide

作　　者：冯书晓[1] 齐凯言 郭亚菲 王俊岭[1] 谷广娜 孙静静 付龙龙 廖源 FENG Shu-xiao;QI Kai-yan;GUO Ya-fei;WANG Jun-ling;GU Guang-na;SUN Jing-jing;FU Long-long;LIAO Yuan(College of Chemical Engineering&Pharmaceutical,Henan University of Science and Technology,Luoyang 471023,China)

机构地区：[1]河南科技大学化工与制药学院,河南洛阳471023

出　　处：《合成化学》2022年第1期15-20,共6页Chinese Journal of Synthetic Chemistry

基　　金：河南省自然科学基金资助项目(182300410353)。

摘　　要：以2-氯硒基苯甲酰氯为原料,合成了2-((2-氧代丙基)硒基)- N -(2,4,6-三甲基)苯甲酰胺( 3 ),其结构经 ^(1)H NMR、 ^(13)C NMR、 HR-MS(ESI)和XRD表征。结果表明: 3(CCDC: 1944721)属于单斜晶系, P2_(1)/c空间群,晶胞参数为 a =23.3910(4) A,b=8.30202(2) , c =9.21781(19) A,β =90.3953(18)°, V= 1789.98(7) A^(3),,Z =4, Dc =1.389 g/cm^(3) , F (000)=768.0, R_(gt )( F )=0.0404, wR_(ref) ( F^(2 ))=0.1172, S =1.035, μ =2.906 mm 1 。用MTT法测得3(100 μg/mL)对食管癌细胞(EC109)的体外增殖抑制率为21.31±1.04%。With 2-chloroselenium-benzoyl chloride as raw material, 2-((2-oxopropyl)selanyl)- N -(2,4,6-trimethyl) benzamide( 3 ) was synthesized. The structure of 3 was characterized by ^(1)H NMR, ^(13)C NMR, HR-MS(ESI), and the molecular structure was determined by X-single crystal diffraction. The results showed that 3 (CCDC:1944721) belong to monoclinic system, space group P 2 1 /c, and the unit cell parameters were a =23.3910(4) , b =8.30202(2) , c =9.21781(19) , β =90.3953(18)°, V= 1789.98(7) 3 , Z =4, Dc =1.389 g/cm^(3) , F (000)=768.0, R_(gt) ( F )=0.0404, wR_(ref) ( F 2 )=0.1172, S =1.035, μ =2.906 mm 1 . MTT assay showed that the inhibitory rate of 3 (100 μg/mL) on the proliferation of EC109 cells in vitro was 21.31±1.04%.

关 键 词：有机硒化合物 合成 晶体结构 抑癌活性 食管癌细胞 甲酰氯 

分 类 号：O626[理学—有机化学]