Acetic acid 7-((S)-1-{2-[2-(2-tert-butoxycarbonylamino-ethoxy)-ethoxy]-ethylcarbamoyl}-1-hydroxy-propyl)-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-8-ylmethyl ester | 581062-18-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Acetic acid 7-((S)-1-{2-[2-(2-tert-butoxycarbonylamino-ethoxy)-ethoxy]-ethylcarbamoyl}-1-hydroxy-propyl)-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-8-ylmethyl ester
• CAS: 581062-18-2
• 化学式: C₃₃H₄₂N₄O₉
• 分子量: 638.718
• InChiKey: KQKPJWXWGZRVDD-XIFFEERXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.76
• 重原子数：
  46.0
• 可旋转键数：
  14.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  167.31
• 氢给体数：
  3.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  三氟乙酸 、 Acetic acid 7-((S)-1-{2-[2-(2-tert-butoxycarbonylamino-ethoxy)-ethoxy]-ethylcarbamoyl}-1-hydroxy-propyl)-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-8-ylmethyl ester 以 二氯甲烷 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Tripartate poly(ethylene glycol) prodrugs of the open lactone form of camptothecin

  摘要：

  Two PEG prodrugs utilizing conjugation of PEG through the C-21 acid functionality as well as the C-17 OH group of CPT hydroxy-amide open forms were synthesized and characterized. Both of these open lactone tripartate prodrugs were shown to be water soluble and highly effective in MX-1 mouse xenograph studies. Indirect evidence implies that the initial ester or carbonate bond breaking is esterase mediated in the first step of the cascade of CPT release. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00152-4
• 作为产物：
  描述：

  喜树碱 在 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 51.0h， 生成 Acetic acid 7-((S)-1-{2-[2-(2-tert-butoxycarbonylamino-ethoxy)-ethoxy]-ethylcarbamoyl}-1-hydroxy-propyl)-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-8-ylmethyl ester
  参考文献：
  名称：

  Tripartate poly(ethylene glycol) prodrugs of the open lactone form of camptothecin

  摘要：

  Two PEG prodrugs utilizing conjugation of PEG through the C-21 acid functionality as well as the C-17 OH group of CPT hydroxy-amide open forms were synthesized and characterized. Both of these open lactone tripartate prodrugs were shown to be water soluble and highly effective in MX-1 mouse xenograph studies. Indirect evidence implies that the initial ester or carbonate bond breaking is esterase mediated in the first step of the cascade of CPT release. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00152-4