| 204991-77-5

• 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: 204991-77-5
• 化学式: C₆₁H₉₁NO₁₄Si₂
• 分子量: 1118.56
• InChiKey: NWCUVVGRLPVEMB-KUSZNVOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.83
• 重原子数：
  78.0
• 可旋转键数：
  19.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  182.66
• 氢给体数：
  1.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  在 甲酸 作用下， 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：

  10-deacetoxy-10-hydroxypropyl-7-O-triethylsilylbaccatin III 在 咪唑 、 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 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