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有机化学 ›› 2007, Vol. 27 ›› Issue (9): 1137-1141. 上一篇    下一篇

研究论文

N'-乙氧羰基取代甲基-N-β-吡啶甲酰硫脲的合成及晶体结构

薛思佳*，申杰峰，蔡志娟，王庆东   

  1. (上海师范大学生命与环境科学学院 上海 200234)
  • 收稿日期:2006-11-23 修回日期:2007-03-15 发布日期:2007-08-30
  • 通讯作者: 薛思佳

Synthesis and Crystal Structure of N-(1-Ethoxycarbonylalkyl)-N'- β-pyridylcarbonylthiourea

XUE Si-Jia*,SHEN Jie-Feng,CAI Zhi-Juan,WANG Qing-Dong   

  1. College of Life and Environment Science, Shanghai Normal University, Shanghai 200234)
  • Received:2006-11-23 Revised:2007-03-15 Published:2007-08-30
  • Contact: XUE Si-Jia

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从α-L-氨基酸乙酯出发, 设计合成了9种新N'-乙氧羰基取代甲基-N-β-吡啶甲酰硫脲衍生物. 其结构经IR, 1H NMR, MS和元素分析测试确证. 对化合物7d的单晶进行了X射线晶体结构测定, 其属于单斜晶系, C2空间群, 晶胞参数a＝1.6912(6) nm, b＝0.5197(19) nm, c＝1.9399(7) nm, Z＝4, V＝1.6962(11) nm3, Dc＝1.266 Mg/m3, α＝90.00°, β＝95.89°, γ＝90.00°, F(000)＝688, R＝0.0667, wR＝0.1709. 经MTT法三次平行实验, 首次发现部分目标化合物对白血病K562细胞的增殖有明显的抑制作用.

关键词: 合成, 晶体结构, α-L-氨基酸酯, N-β-吡啶甲酰硫脲, K562细胞

Nine novel N-(1-ethoxycarbonylalkyl)-N'-β-pyridylcarbonylthiourea compounds were synthesized. The structures of the target compounds were determined by IR, 1HNMR, MS spectra and elemental analysis. The crystal structure of the target compound 7d was determined by X-ray diffraction analysis. Crystal data: monoclinic, space group: C2, a＝1.6912(6) nm, b＝0.51978(19) nm, c＝1.9399(7) nm, Z＝4, V＝1.6962(11) nm3, Dc＝1.266 Mg/m3, α＝90.00°, β＝95.890(5)°, γ＝90.00°, F(000)＝688, R＝0. 0667, wR＝0.1709. Using an MTT assay, the inhibitory rate of the title compounds against the K562 cell proliferation was measured. The result of a preliminary bioassay shows that some of the target compounds possess antiproliferation effects on K562 cells.

Key words: N-β-pyridylcarbonylthiourea, crystal structure, K562 cell, α-L-amino-acid ester