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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℃.D_2O中以二氧六环(3.72ppm)为内标,C_5D_5N中以残存溶剂峰(6.98,7.35,8.50ppm),DMSO-d_6和GF_3CO_2D中以TMS(0ppm)为内标.用反转恢复法测自旋晶格弛豫时间T_1,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.
Sodium tanshinone Ⅱ-A sulfonate (1) has a good curative effect in the treatment of coronary heart disease.In this paper, its association behavior in solution was studied by ~ 1H NMR, which is intended to provide reference for its pharmacology. A certain amount of 1 (a gift from Institute of Materia Medica, Chinese Academy of Sciences) was placed in a 5 mm NMR sample tube and deuterated solvent (Beijing Chemical Plant) was added to the desired concentration using a microinjector. The test was carried out at a frequency of 200 MHz and a temperature of 20 ° C. Dioxane (3.72 ppm) was used as an internal standard in D_2O. The residual solvent peak (6.98, 7.35, 8.50 ppm), DMSO-d_6 and GF_3CO_2D were treated with TMS ) As the internal standard.The spin-lattice relaxation time T_1 was measured by the inversion recovery method, and the association equilibrium constant K was fitted on the Apple microcomputer according to the least-squares BASIC program.