Synthesis,Crystal Structures and Cytotoxic Activities of Two New Pyrimidine Derivatives of Ursolic Acid

作     者：王文燕 李阿良 刘青松 孙月 谷文 WANG Wen-Yan;LI A-Liang;LIU Qing-Song;SUN Yue;GU Wen

作者机构：Jiangsu Provincial Key Lab for the Chemistry and Utilization of Agro-forest BiomassJiangsu Key Lab of Biomass-based Green Fuels and ChemicalsCo-innovation Center for Efficient Processing and Utilization of Forest ProductsCollege of Chemical EngineeringNanjing Forestry UniversityNanjing 210037China 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2021年第40卷第2期

页      面：239-245,148页

核心收录：

学科分类：1007[医学-药学(可授医学、理学学位)] 0703[理学-化学] 10[医学] 

基　　金：supported by the National Natural Science Foundation of China(31770616) the Natural Science Foundation for Colleges and Universities in Jiangsu Province(17KJA220002) Top-notch Academic Programs Project of Jiangsu Higher Education Institutions(PPZY2015C221). 

主　　题：ursolic acid pyrimidine crystal structure cytotoxic activity 

摘      要：The title compounds(5a and 5b)were synthesized from ursolic acid and their structures were characterized by spectroscopic methods including ESI-MS,^(1)H-NMR,^(13)C-NMR and elemental analysis.The crystal structures of compounds 5a and 5b were determined by single-crystal X-ray diffraction analysis.Compound 5a crystallizes in monoclinic system,P21 space group with a=12.258(3),b=10.396(2),c=15.570(3)Å,b=107.21(3)°,Z=2,V=1895.3(7)Å^(3),Mr=659.90,Dc=1.156 Mg/m^(3),S=1.003,µ=0.076 mm^(−1),F(000)=716,the final R=0.0686 and wR=0.1430 for 1859 observed reflections(I2σ(I)).Compound 5b crystallizes in monoclinic system,P21 space group with a=12.371(3),b=10.647(2),c=15.722(3)Å,b=109.44(3)°,Z=2,V=1952.8(8)Å^(3),M_(r)=655.93,D_(c)=1.116 Mg/m^(3),S=1.002,µ=0.069 mm^(−1),F(000)=716,the final R=0.0686 and wR=0.1882 for 2574 observed reflections(I2σ(I)).The preliminary cytotoxic assay indicated that compound 5b exhibited notable cytotoxic activity against MCF-7 and HeLa cells with the IC_(50)values of 10.71±0.23 and 12.63±0.31μM,respectively.