研究简报

阿糖胞苷HepDirect前药MB07133的波谱特征与晶体结构

  • 王明 ,
  • 王民昌* ,
  • 赵小璟 ,
  • 苏鹏飞 ,
  • 潘清 ,
  • 陈智群 ,
  • 李晓宇
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  • 西安近代化学研究所,陕西 西安 710065
王明(1981-),男,工程师,主要从事材料化学结构表征研究.E-mail: wmuvb@sina.com. *通讯联系人:王民昌,电话:029-88291664, E-mail: wmc204@163.com

收稿日期: 2014-08-27

  修回日期: 2015-07-24

  网络出版日期: 2015-09-05

NMR Characteristics and Crystal Structure of Cytarabine HepDirect Prodrug MB07133

  • WANG Ming ,
  • WANG Min-chang* ,
  • ZHAO Xiao-jing ,
  • SU Peng-fei ,
  • PAN Qing ,
  • CHEN Zhi-qun ,
  • LI Xiao-yu
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  • Xi´an Modern Chemistry Research Institute, Xi´an 710065, China
*Corresponding author:WANG Min-chang, Tel: +86-029-88291664, E-mail: wmc204@163.com

Received date: 2014-08-27

  Revised date: 2015-07-24

  Online published: 2015-09-05

摘要

1H和13C NMR和多种2D NMR谱表征了阿糖胞苷的磷酸盐或磷酸酯肝靶向前体药物(HepDirect前药)—— MB07133的结构,对其NMR谱进行了归属;用X-射线单晶衍射测定了单晶的晶体结构.讨论了该化合物的波谱数据和晶体结构数据,验证了其结构的正确性并探讨了其化学结构对药物特性的影响.

本文引用格式

王明 , 王民昌* , 赵小璟 , 苏鹏飞 , 潘清 , 陈智群 , 李晓宇 . 阿糖胞苷HepDirect前药MB07133的波谱特征与晶体结构[J]. 波谱学杂志, 2015 , 32(3) : 518 -527 . DOI: 10.11938/cjmr20150313

Abstract

The structure of the title compound (MB07133) was determined by one-dimensional (i.e., 1H and 13C NMR) and two-dimensional (i.e., 1H-1H COSY, gHSQC and gHMBC) NMR techniques. The 1H and 13C NMR chemical shifts were assigned. The crystal structure of the compound was determined using X-ray single crystal diffraction. The spectral feature and crystal structure of the compound, as well as the structure-function relationship with respective to its use as a prodrug, were discussed.

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