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

• 来源期刊: 结构化学
• 年，卷（期）: 2021,（2）
• 所属期刊栏目: medicinal structural chemistry
• 页码范围: 239-245
• 页数: 7页
• 语种: 英文
• DOI: 10.14102/j.cnki.0254-5861.2011-2818

摘要

The title compounds(5a and 5b)were synthesized from ursolic acid and their structures were characterized by spectroscopic methods including ESI-MS,1H-NMR,13C-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)?,β =107.21(3)°,Z = 2,V= 1895.3(7)?3,Mr= 659.90,Dc= 1.156 Mg/m3,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)?,β= 109.44(3)°,Z= 2,V =1952.8(8)?3,Mr = 655.93,Dc= 1.116 Mg/m3,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(l)).The preliminary cytotoxic assay indicated that compound 5b exhibited notable cytotoxic activity against MCF-7 and HeLa cells with the IC50 values of 10.71 ± 0.23 and 12.63 士0.31 uM,respectively.