| 1407658-02-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1407658-02-9
• 化学式: C₁₀₅H₁₉₀N₂O₄₀
• 分子量: 2120.65
• InChiKey: YWSAERCHNUQAAD-HCAJAWRRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.85
• 重原子数：
  147.0
• 可旋转键数：
  68.0
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  424.62
• 氢给体数：
  2.0
• 氢受体数：
  40.0

反应信息

• 作为产物：
  描述：

  硬脂酸乙酯 、 6^VII-(2-amino-1,3-propandiol)succcinylamido-6^VII-deoxy-2^VII,3^VII-di-O-methyl-hexakis(2,3,6-tri-O-methyl)-cyclomaltoheptaose 在 lipase from Mucor miehei immobilized on macroporous ion exchange resin 作用下， 50.0 ℃ 、9.0 kPa 条件下， 以60%的产率得到
  参考文献：
  名称：

  Nanoparticles based on lipidyl-β-cyclodextrins: synthesis, characterization, and experimental and computational biophysical studies for encapsulation of atazanavir

  摘要：

  展示了化合物的表面活性特性后，展示了纳米颗粒的形成、稳定性和形态。

  DOI：

  10.1039/c8nj03237h

文献信息

• Synthesis of glycerolipidyl derivatives of permethylated β-cyclodextrin as potential nanovectors
  作者：Cédric Gervaise、Véronique Bonnet、Catherine Sarazin、Florence Djedaïni-Pilard

  DOI：10.1039/c2nj40689f

  日期：——

  This work reports the chemo-enzymatic synthesis of a new family of amphiphilic cyclodextrins for Nano Drug Delivery. Monoamino-permethylated β-CD 1 was used as the polar head of amphiphilic structures. Three derivatives of glycerol were grafted onto cyclodextrin with or without a spacer arm. The two free hydroxyl groups were submitted to lipase-catalyzed reaction in mild conditions, leading to mono- or diesterified compounds. The reactivity of the hydroxyl groups was discussed and the compounds were fully characterized by NMR and mass spectrometry. The surfactive properties of bicatenar compounds 8, 9, 12 and 14 were evaluated and low CAC were determined, suggesting very promising assembly properties of these compounds in aqueous media.

  这项研究报告了用于纳米药物递送的新型两亲性环糊精家族的化学-酶合成。单氨基全甲基化的β-环糊精1被用作两亲性结构的极性头部。三种甘油衍生物被接枝到环糊精上，带或不带间隔臂。两个自由羟基在温和条件下经过脂肪酶催化反应，生成单酯或双酯化合物。讨论了羟基的反应性，所合成的化合物通过核磁共振和质谱进行了完全表征。评估了化合物8、9、12和14的表面活性特性，并测定了低临界胶束浓度（CAC），这表明这些化合物在水相中具有非常有前景的组装特性。