[2-(2-{2-[(S)-2-Hydroxy-2-(8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-7-yl)-butyrylamino]-ethoxy}-ethoxy)-ethyl]-carbamic acid tert-butyl ester | 581062-17-1

• 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: [2-(2-{2-[(S)-2-Hydroxy-2-(8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-7-yl)-butyrylamino]-ethoxy}-ethoxy)-ethyl]-carbamic acid tert-butyl ester
• CAS: 581062-17-1
• 化学式: C₃₁H₄₀N₄O₈
• 分子量: 596.681
• InChiKey: HDJSGBGTNSESPQ-HKBQPEDESA-N

物化性质

• 沸点：
  904.9±65.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.19
• 重原子数：
  43.0
• 可旋转键数：
  13.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  161.24
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  [2-(2-{2-[(S)-2-Hydroxy-2-(8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-7-yl)-butyrylamino]-ethoxy}-ethoxy)-ethyl]-carbamic acid tert-butyl ester 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 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 、 2-(2-(2-氨基乙氧基)乙氧基)乙基氨基甲酸叔丁酯 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 [2-(2-{2-[(S)-2-Hydroxy-2-(8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-7-yl)-butyrylamino]-ethoxy}-ethoxy)-ethyl]-carbamic acid tert-butyl 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