| 204764-88-5

• CAS: 204764-88-5
• 化学式: C₄₆H₅₆N₂O₁₃
• 分子量: 844.956
• InChiKey: KNYWUSOVXDGZLZ-HYMGMXNHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.82
• 重原子数：
  61.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  228.01
• 氢给体数：
  4.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  在 镍 ammonium hydroxide 、 氢气 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and cytotoxic activity of novel 10-alkylated docetaxel analogs

  摘要：

  An alkylation method of docetaxel at the C-10 position has been established by a radical coupling reaction using a 10-xanthate derivative of 7-O-TES-10-deacetylbaccatin III and appropriate alkenes. In addition the cytotoxic activity of 10-alkylated docetaxel analogs was evaluated. Among these analogs, a derivative having a methoxycarbonyl group at the end of the alkyl moiety exhibited more potent cytotoxic activity than docetaxel. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00040-7
• 作为产物：
  描述：

  (4S,5R)-2,2-二甲基-4-苯基-3-叔丁氧基羰基-3,5-氧氮杂环戊烷甲酸 在 4-二甲氨基吡啶 、 甲酸 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Synthesis and cytotoxic activity of novel 10-alkylated docetaxel analogs

  摘要：

  An alkylation method of docetaxel at the C-10 position has been established by a radical coupling reaction using a 10-xanthate derivative of 7-O-TES-10-deacetylbaccatin III and appropriate alkenes. In addition the cytotoxic activity of 10-alkylated docetaxel analogs was evaluated. Among these analogs, a derivative having a methoxycarbonyl group at the end of the alkyl moiety exhibited more potent cytotoxic activity than docetaxel. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00040-7