波谱学杂志
波譜學雜誌
파보학잡지
CHINESE JOURNAL OF MAGNETIC RESONANCE
2015年
3期
518-527
,共10页
王明%王民昌%赵小璟%苏鹏飞%潘清%陈智群%李晓宇
王明%王民昌%趙小璟%囌鵬飛%潘清%陳智群%李曉宇
왕명%왕민창%조소경%소붕비%반청%진지군%리효우
核磁共振(NMR)%阿糖胞苷HepDirect前药%MB07133%2D NMR%晶体结构%单晶衍射
覈磁共振(NMR)%阿糖胞苷HepDirect前藥%MB07133%2D NMR%晶體結構%單晶衍射
핵자공진(NMR)%아당포감HepDirect전약%MB07133%2D NMR%정체결구%단정연사
NMR%cytarabine HepDirect prodrug%MB07133%2D NMR%crystal structure%single crystal diffraction
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（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。
用1H和13C NMR和多種2D NMR譜錶徵瞭阿糖胞苷的燐痠鹽或燐痠酯肝靶嚮前體藥物（HepDirect前藥）—— MB07133的結構，對其NMR譜進行瞭歸屬；用X-射線單晶衍射測定瞭單晶的晶體結構。討論瞭該化閤物的波譜數據和晶體結構數據，驗證瞭其結構的正確性併探討瞭其化學結構對藥物特性的影響。
용1H화13C NMR화다충2D NMR보표정료아당포감적린산염혹린산지간파향전체약물（HepDirect전약）—— MB07133적결구，대기NMR보진행료귀속；용X-사선단정연사측정료단정적정체결구。토론료해화합물적파보수거화정체결구수거，험증료기결구적정학성병탐토료기화학결구대약물특성적영향。
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.
