【摘要】 目的确证替格瑞洛的化学结构。方法通过紫外光谱(UV)、红外光谱(IR)、超高分辨傅里叶变换离子回旋质谱(FT-MS)、1D/2D核磁共振谱(NMR)、差热扫描量热分析(DSC)、热重/差热扫描量热同步综合热分析(TG/DSC)和X-射线粉末衍射(XRD)对替格瑞洛进行结构分析。结果通过解析证实了替格瑞洛的化学结构为(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-二氟苯基)环丙基]氨基]-5-丙硫基三唑并[4,5-d]嘧啶-3-基]-5-(2-羟乙氧基)-1,2-环戊二醇。结论该方法准确可行,可为替格瑞洛的结构确证提供依据。更多还原

【Abstract】 Objective To determine the chemical structure of ticagrelor. Methods Ultraviolet absorption spectrum(UV), infrared absorption spectroscopy(IR), Ultra-high resolution fourier-transform ion cyclotron resonance mass spectrometry(FT-MS), 1 D/2 D Nuclear magnetic resonance spectroscopy(NMR), Differential scanning calorimetry(DSC), Thermogravimetric/Differential scanning calorimetry synchronized comprehensive thermal Analysis(TG/DSC) and X-ray powder diffraction(XRD) were used to analyze the chemical structure of ticagrelor. Results The chemical structure of ticagrelor was(1 S, 2 S, 3 R, 5 S)-3-[7-[[(1 R, 2 S)-2-(3,4-difluorophenyl) cyclopropyl] amino]-5-propylsulfanyltriazolo[4, 5-d] pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1, 2-diol. Conclusion The method is accurate and practical, which can provide comprehensive reference for the structural identification of ticagrelor.更多还原