| 刘利娜,韦金锐,何艺鑫,潘为高,林翠梧.化学通报,2014,77(11):1093-1097. |
| (英)用微量热法研究一种新晶体与人血清白蛋白以及肝素钠相互作用的热动力学 |
| Study on interactions of a New Crystal with Human Serum Albumin or Heparin Sodium by C80 micro-calorimeter |
| 投稿时间：2014-03-14 修订日期：2014-04-10 |
| DOI： |
| 中文关键词: (E)-2-乙氧基-2-氧乙基3-(4-(2-乙氧基-2-氧代乙氧基)苯基)丙烯酸酯 晶体结构 人血清白蛋白 肝素钠 相互作用 |
| 英文关键词:(E)-2-ethoxy-2-oxoethyl 3-(4-(2-ethoxy-2-oxoethoxy)phenyl)acrylate Crystal structure HSA Heparin sodium Interactions |
| 基金项目:国家自然科学基金项目（面上项目，重点项目，重大项目）;中国博士后科学基金;创新研究群体科学基金 |
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| 中文摘要: |
| 本文使用氯乙酸乙酯和对羟基肉桂酸原料合成并纯化、重结晶得到一种新的无色棒状晶体化合物,即为(E)-2-乙氧基-2-氧乙基3-(4-(2-乙氧基-2-氧代乙氧基)苯基)丙烯酸酯 (EOPA)。EOPA的结构通过质谱和X-射线单晶衍射鉴证。结果显示该晶体为三斜晶系,空间群为P ,并得到该晶体的其他相关参数：a = 8.835(5) ?, b = 13.707(8) ?, c = 15.265(9) ?, α = 92.087(7)°, β = 104.289(7)°, γ = 104.471(7)°, V = 1725.0(17) ?3,晶胞中分子数Z = 4, F(000) = 712.0,晶体密度Dc = 1.295 mg/m3, 化合物分子量Mr = μ = 336.33, 衍射波长λ = 0.71073 ?, 可观察衍射点R = 0.0707,全部衍射点wR = 0.2415,独立衍射点中强度大于2σ的衍射点数为4173。采用C80微量热计测试获得数据显示EOPA与人血清白蛋白结合的焓变(ΔH = –309.617 kJ/mol)比EOPA与肝素钠结合焓变(ΔH = –65.729 kJ/mol)更负,说明前者结合更容易进行或结合比例更大。 |
| 英文摘要: |
| (E)-2-ethoxy-2-oxoethyl 3-(4-(2-ethoxy-2-oxoethoxy)phenyl)acrylate (EOPA) was synthesized by the reaction of (E)-3-(4-hydroxyphenyl) acrylic acid with ethyl 2-chloroacetate and characterized by GC-MS and X-ray single-crystal diffraction. Its crystal was triclinic, space group P with a = 8.835(5) ?, b = 13.707(8) ?, c = 15.265(9) ?, α = 92.087(7)°, β = 104.289(7)°, γ = 104.471(7)°, V = 1725.0(17) ?3, Z = 4, F(000) = 712.0, Dc = 1.295 Mg/m3, Mr = μ = 336.33, λ = 0.71073 ?, the final R = 0.0707 and wR = 0.2415 for 4173 observed reflections with I > 2σ(I). Data of C80 micro-calorimeter indicated that interactions between EOPA and Human Serum Albumin (HSA) (ΔH = –309.617 kJ/mol) were stronger than those between EOPA and heparin Sodium (ΔH = –65.729 kJ/mol) at 298.15 K. |
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