| 67007-82-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 67007-82-3
• 化学式: C₁₀H₁₀N₄O₂S*C₄₂H₇₀O₃₅
• 分子量: 1385.28
• InChiKey: OPPZIKOOIPDKNV-ZQOBQRRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14.37
• 重原子数：
  94.0
• 可旋转键数：
  10.0
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  652.02
• 氢给体数：
  23.0
• 氢受体数：
  40.0

反应信息

• 作为产物：
  描述：

  磺胺嘧啶 、 β-环糊精 以 水 为溶剂， 反应 73.0h， 生成
  参考文献：
  名称：

  通过实验和理论方法研究了磺酰胺与β-环糊精的络合。

  摘要：

  通过研究结构上的亲和关系，研究了三种结构相关的磺酰胺（磺胺嘧啶（SDZ），磺胺嘧啶（SMR）和磺胺二甲嘧啶（SMT））与β-环糊精（β-CD）之间的络合物形成。在所有情况下，通过相溶解度（SDZ：beta-CD> SMR：beta-CD> SMT：beta-CD）和核磁共振（NMR）（SMT：beta-CD）确定具有不同相对亲和力的1：1化学计量比CD> SMR：beta-CD> SDZ：beta-CD）研究。NMR测定的空间构型与分子模拟获得的空间构型一致，表明SDZ将其苯胺环包括在β-CD中，而SMR和SMT包括取代的嘧啶环。能量分析表明，疏水性是形成复合物的主要驱动力。

  DOI：

  10.1002/jps.22062

文献信息

• Interaction of sulfadiazine with cyclodextrins in aqueous solution and solid state
  作者：Alicia Delrivo、Ariana Zoppi、Marcela Raquel Longhi

  DOI：10.1016/j.carbpol.2011.10.025

  日期：2012.2

  The main objective of this work was to increase the solubility of sulfadiazine by formation of inclusion complexes with p-cyclodextrin, and methyl-beta-cyclodextrin. The apparent stability constants have been determined by phase solubility studies in water and buffer solutions of pH values of 2 and 8. The stoichiometry of all complexes was found to be 1:1 but different relative affinities were found for each cyclodextrin. It was possible to obtain a greater overall solubility by using a combined approach of pH adjustment and complexation with cyclodextrins. Guest-host interactions have been investigated using nuclear magnetic resonance. Complexes were prepared in solid state by different methods and were characterized using differential scanning calorimetry, thermogravimetric analysis. Fourier-transform infrared spectroscopy, X-ray diffractometry and scanning electron microscopy. The dissolution rate of the drug from the inclusion complex made by freeze-dried was much faster than this of the pure drug. (C) 2011 Elsevier Ltd. All rights reserved.