| 195141-97-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• CAS: 195141-97-0
• 化学式: C₆₁H₉₄BrNO₁₄Si₃
• 分子量: 1229.58
• InChiKey: CGBUQGZTYHZAMP-HWHNIEPISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.72
• 重原子数：
  80.0
• 可旋转键数：
  21.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  191.45
• 氢给体数：
  2.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  在 氢氟酸 作用下， 以 吡啶 、 甲醇 为溶剂， 生成 [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,17,17-trimethyl-14-(morpholin-4-ylmethyl)-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  参考文献：
  名称：

  First synthesis and cytotoxic activity of novel docetaxel analogs modified at the C18-position

  摘要：

  To investigate the effect of the C-18 position of docetaxel in its cytotoxic activity, 18-modified docetaxel analogs were synthesized for the first time from the 18-brominated baccatin derivatives. All of these analogs were found to be less active than docetaxel in cytotoxic activity against four test cell lines. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10128-7
• 作为产物：
  描述：

  2'-(tert-butyldimethylsilyl)-7,10-di(triethylsilyl)docetaxel 在 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 以60%的产率得到
  参考文献：
  名称：

  First synthesis and cytotoxic activity of novel docetaxel analogs modified at the C18-position

  摘要：

  To investigate the effect of the C-18 position of docetaxel in its cytotoxic activity, 18-modified docetaxel analogs were synthesized for the first time from the 18-brominated baccatin derivatives. All of these analogs were found to be less active than docetaxel in cytotoxic activity against four test cell lines. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10128-7