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Characterization of Tenofovir Disoproxil Fumarate and Its Behavior under Heating

机译：替诺福韦富马酸替诺福酯的表征及其在加热下的行为

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Tenofovir disoproxil fumarate (TDF) is a nucleotide reverse transcriptase inhibitor used worldwide to treat AIDS. The aim of this study was to investigate the structural and dynamic properties of the polymorphic form I of the drug by thermal analysis, Fourier transform infrared spectroscopy, solid-state NMR, and powder X-ray diffraction. A full assignment of C-13 NMR resonances was achieved for the first time. Variable-temperature studies were conducted, and the results were related to changes in the TDF structure and dynamics of specific molecular fragments, especially of the fumarate portion of the molecule. It was found that, under heating, the C-13 NMR signals related to the carbon atoms of the disoproxil fumarate moiety split into two resonances. The region of the phosphonate vicinity also changes. This can reflect the lack of symmetry of the two molecules in the asymmetric unit after heating. This solid-solid transformation was related to DSC and XRD observations.
机译：替诺福韦富马酸替索罗非酯（TDF）是一种核苷酸逆转录酶抑制剂，在世界范围内用于治疗艾滋病。这项研究的目的是通过热分析，傅立叶变换红外光谱，固态NMR和粉末X射线衍射研究药物多晶型I的结构和动力学性质。首次实现了C-13 NMR共振的完全分配。进行了可变温度研究，结果与TDF结构的变化和特定分子片段（尤其是分子的富马酸酯部分）的动力学有关。发现在加热下，与富马酸二甲吡酯部分的碳原子有关的C-13 NMR信号分裂为两个共振。膦酸酯附近的区域也改变。这可以反映出加热后不对称单元中两个分子缺乏对称性。这种固-固转变与DSC和XRD观测有关。

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