| 1558801-93-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• CAS: 1558801-93-6
• 化学式: C₂₆H₃₉NO₆S*C₄₈H₈₀O₄₀
• 分子量: 1790.8
• InChiKey: VYWAWLAJHLSWQE-QHMCEQRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.32
• 重原子数：
  122.0
• 可旋转键数：
  10.0
• 环数：
  33.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  742.45
• 氢给体数：
  26.0
• 氢受体数：
  48.0

反应信息

• 作为产物：
  描述：

  西洛他唑 、 γ-环糊精 以 乙醇 、 水 为溶剂， 反应 72.0h， 以80%的产率得到
  参考文献：
  名称：

  Investigation of inclusion complex of Epothilone A with cyclodextrins

  摘要：

  The inclusion complexation of Epothilone A with native cyclodextrin (beta- or gamma-CD) and its derivative hydroxypropyl-beta-cyclodextrin (HP beta CD) were prepared. Their behavior, characterization, and binding ability were investigated in both solution and the solid state by means of UV-vis, NMR, XRD, DSC and SEM. The results show that the water solubility and solution stability obviously increased in the inclusion complex with cyclodextrins. Meanwhile, the inclusion complexes still retained anticancer activity against A549 and MCF-7 cells, similar to free Epothilone A. This satisfactory water solubility, high solution stability, and high anticancer activity of the Epothilone A/CD complexes will be potentially useful as an anticancer therapy. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carbpol.2013.11.049