一种新型三唑-3-硫酮生物活性氟衍生物的合成及其重要的物理化学性质

IF 0.3 Q4 CRYSTALLOGRAPHY

Liquid Crystals and their Application Pub Date : 2021-06-29 DOI:10.18083/lcappl.2021.2.35

S. Blokhina, M. V. Olkhovich, A. Sharapova, E. Zhirova

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引用次数: 3

摘要

俄罗斯合成了一种新的三唑-3-硫酮氟衍生物，作为一种潜在的神经保护剂。通过1H NMR、13C NMR和元素分析证实了化合物的结构和纯度。对该化合物的生物学活性进行了体外研究：钙阻断能力和对AMPA受体功能活性的影响。在293–313 K的温度范围内，使用摇瓶法测量化合物在模拟人体介质的溶剂中的溶解度。使用Van’t-Hoff和Apelblat方程对化合物溶解度的温度依赖性进行建模。测定了该化合物的亲脂性，并得出结论，它应该具有良好的肠道吸收。在计算溶解和分布热力学函数的基础上，分析了焓的影响 对这些过程的吉布斯能进行了熵贡献。研究了该化合物通过人工溶致磷脂膜的渗透性。研究发现，这种渗透性足以穿过人体的生物细胞

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Synthesis and Pharmaceutical Significant Physical and Chemical Properties of a New Bioactive Fluorine Derivative of Triazol-3-Thione

Russia A new fluorine derivative of triazole-3-thione has been synthesized as a potential neuroprotector. The structure and purity of the compound were confirmed by 1 H NMR, 13 C NMR and elemental analysis. The in vitro study of the biological activity of the compound was carried out: the calcium-blocking ability and the effect on the functional activity of AMPA receptors. The shake flask method was used to measure the solubility of the compound in solvents imitating the body's media in the temperature range of 293–313 K. The temperature dependences of the compound solubility were modeled using the Van't Hoff and Apelblat equations. The lipophilicity of the compound was determined and it was concluded that it should have a good intestinal absorption. On the basis of the calculated dissolution and distribution thermodynamic functions, the analysis of the influence of enthalpy  entropy contributions on the Gibbs energy of these processes was carried out. The permeability of the compound through artificial lyotropic phospholipid membranes was studied. It was found that the permeability is sufficient to pass through the body’s biological cell

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来源期刊

Liquid Crystals and their Application CRYSTALLOGRAPHY-

CiteScore

1.30

自引率

40.00%

发文量

期刊介绍： The Journal presents the following main directions of creation/construction, study and application of self-assembled materials: SYNTHESIS, STRUCTURE, PROPERTIES, MEDICINE, BIOLOGY, NANOTECHNOLOGY, SENSORS, PRACTICAL APPLICATION and INFORMATION. The journal is addressed to researchers, lecturers, university students, engineers. The publisher of the journal is the Nanomaterials Research Institute of "Ivanovo State University".