阿糖胞苷HepDirect前药MB07133的波谱特征与晶体结构

NMR Characteristics and Crystal Structure of Cytarabine Hep Direct Prodrug MB07133

用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(Hep Direct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.

The structure of the title compound （MB07133） was determined by one-dimensional （i.e.,1H and13C NMR） and two-dimensional （i.e.,1H-1H COSY, gHSQC and gHMBC） NMR techniques. The1H and13C 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.