| 1294481-78-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 1294481-78-9
• 化学式: C₈₄H₈₄N₆O₂₂
• 分子量: 1529.62
• InChiKey: SLGXXRORZYDXDY-SUNCXBFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.96
• 重原子数：
  112.0
• 可旋转键数：
  43.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  385.0
• 氢给体数：
  6.0
• 氢受体数：
  22.0

反应信息

• 作为反应物：
  描述：

  在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以91%的产率得到C₂₈H₃₆N₆O₂₂
  参考文献：
  名称：

  Synthesis of novel dendrimers having aspartate grafts and their ability to enhance the aqueous solubility of model drugs

  摘要：

  In this study, a series of aspartate based dendrimers with different cores were synthesized in a convergent approach and well characterized by NMR and MS techniques. The aqueous solubility of the model drugs (L-Histidine, Naproxen, Methotrexate) was measured in the presence of this kind of dendrimers at room temperature in PBS buffers at pH 6, 7 and 8. Results clearly confirmed that the solubility enhancement was due to presence of dendrimers at different pH compared to their corresponding aqueous solubility at different pH. The results indicated that the aspartate based dendrimers could be considered as an effective supplement of PAMAM dendrimers in solubility enhancement and drug delivery. The surface groups played an important role in dendrimer-mediated solubility enhancement.

  DOI：

  10.1016/j.ejmech.2010.01.069
• 作为产物：
  描述：

  丁二酸 、 Asp(Asp(OBzl)OBzl)-Asp(OBzl)OBzl 在 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以61%的产率得到
  参考文献：
  名称：

  Synthesis of novel dendrimers having aspartate grafts and their ability to enhance the aqueous solubility of model drugs

  摘要：

  In this study, a series of aspartate based dendrimers with different cores were synthesized in a convergent approach and well characterized by NMR and MS techniques. The aqueous solubility of the model drugs (L-Histidine, Naproxen, Methotrexate) was measured in the presence of this kind of dendrimers at room temperature in PBS buffers at pH 6, 7 and 8. Results clearly confirmed that the solubility enhancement was due to presence of dendrimers at different pH compared to their corresponding aqueous solubility at different pH. The results indicated that the aspartate based dendrimers could be considered as an effective supplement of PAMAM dendrimers in solubility enhancement and drug delivery. The surface groups played an important role in dendrimer-mediated solubility enhancement.

  DOI：

  10.1016/j.ejmech.2010.01.069