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

作　　者：WANG Wen-Yan LI A-Liang LIU Qing-Song SUN Yue GU Wen 王文燕;李阿良;刘青松;孙月;谷文(Jiangsu Provincial Key Lab for the Chemistry and Utilization of Agro-forest Biomass,Jiangsu Key Lab of Biomass-based Green Fuels and Chemicals,Co-innovation Center for Efficient Processing and Utilization of Forest Products,College of Chemical Engineering,Nanjing Forestry University,Nanjing 210037,China)

机构地区：[1]Jiangsu Provincial Key Lab for the Chemistry and Utilization of Agro-forest Biomass,Jiangsu Key Lab of Biomass-based Green Fuels and Chemicals,Co-innovation Center for Efficient Processing and Utilization of Forest Products,College of Chemical Engineering,Nanjing Forestry University,Nanjing 210037,China

出　　处：《Chinese Journal of Structural Chemistry》2021年第2期239-245,148,共8页结构化学（英文）

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).

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(I>2σ(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(I>2σ(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.

关 键 词：ursolic acid PYRIMIDINE crystal structure cytotoxic activity 

分 类 号：TQ460.1[化学工程—制药化工]