【摘要】 <正> 丹参酮Ⅱ-A磺酸钠（1）对治疗冠心病有较好的疗效.本文用¹H NMR方法对它在溶液中的缔合行为进行了研究,旨在为其药理提供参考. 实验称取一定量1（中国科学院药物研究所惠赠）置5mm NMR样品管中,用微量进样器加入氘代溶剂（北京化工厂产品）,配成所需浓度.在XL-200超导NMR谱仪上测试,观察频率200MHz,温度20℃.D₂O中以二氧六环（3.72ppm）为内标,C₅D₅N中以残存溶剂峰（6.98,7.35,8.50ppm）,DMSO-d₆和GF₃CO₂D中以TMS（0ppm）为内标.用反转恢复法测自旋晶格弛豫时间T₁,按最小二乘法自编BASIC程序在Apple微机上拟合出缔合平衡常数K.更多还原

【Abstract】 The association behavior of sodium tanshinone II-A sulphonate in D₂O, CF₃CO₂D, DMSO-d₆ and C₅D₅N has been studied by ¹H NMR spectroscopy. The ¹H NMR signals of the molecule have been assigned and their chemical shifts and relaxation timos have been determined. The chemical shifts as a funotion of concentrations have been analyzed by regression method, the association number n=2, the equilibrium constant K= 167mol^-1·dm³, the chemical shifts of free and associated molecules have been obtained. The magnitude of the magnetic anisotropy screening constants between the associated molecules and the relaxation times are compatible with a molecular plane stacking model and the association occurs at the hydrophobic end in D₂O but at the hydrophilic end in CF₃CO₂D. The order of the association strength of the molecules in different solvents is CF₃CO₂D>D₂O>DMSO-d₆>C₅D₅N.更多还原