1,1-Dimethylethyl 35,35,35-triphenyl-4,7,10,13,16,19,22,25,28,31,34-undecaoxapentatriacontanoate | 778596-25-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1,1-Dimethylethyl 35,35,35-triphenyl-4,7,10,13,16,19,22,25,28,31,34-undecaoxapentatriacontanoate
• 英文别名: tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• CAS: 778596-25-1
• 化学式: C₄₆H₆₈O₁₃
• 分子量: 829.038
• InChiKey: QJUIVLOWDXJEHI-UHFFFAOYSA-N

物化性质

• 沸点：
  800.4±60.0 °C(Predicted)
• 密度：
  1.102±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  59
• 可旋转键数：
  39
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  1,1-Dimethylethyl 35,35,35-triphenyl-4,7,10,13,16,19,22,25,28,31,34-undecaoxapentatriacontanoate 在 palladium on activated charcoal hydroxylamine buffer 、 氢气 、 三乙胺 作用下， 以 甲醇 、 乙醇 、 乙腈 为溶剂， 20.0 ℃ 、193.05 kPa 条件下， 反应 53.0h， 生成 33-巯基-4,7,10,13,16,19,22,25,28,31-十氧杂三十三烷酸叔丁酯
  参考文献：
  名称：

  Synthesis of Taxoids with Improved Cytotoxicity and Solubility for Use in Tumor-Specific Delivery

  摘要：

  To develop effective taxane-antibody immunoconjugates, we have prepared a series of modified taxanes that have both improved toxicity and solubility in aqueous systems as compared to paclitaxel (1a). These taxanes have been modified at either the C-10 or C-7 position and were found to be very cytotoxic against both normal and multi-drug-resistant (MDR) cells, as well as up to 30 times more soluble than paclitaxel in various buffer systems.

  DOI：

  10.1021/jm049705s
• 作为产物：
  描述：

  六甘醇 在 吡啶 、 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 反应 1.0h， 生成 1,1-Dimethylethyl 35,35,35-triphenyl-4,7,10,13,16,19,22,25,28,31,34-undecaoxapentatriacontanoate
  参考文献：
  名称：

  Synthesis of Taxoids with Improved Cytotoxicity and Solubility for Use in Tumor-Specific Delivery

  摘要：

  To develop effective taxane-antibody immunoconjugates, we have prepared a series of modified taxanes that have both improved toxicity and solubility in aqueous systems as compared to paclitaxel (1a). These taxanes have been modified at either the C-10 or C-7 position and were found to be very cytotoxic against both normal and multi-drug-resistant (MDR) cells, as well as up to 30 times more soluble than paclitaxel in various buffer systems.

  DOI：

  10.1021/jm049705s