(2S)-N-[2-(dimethylamino)ethyl]-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanamide | 581062-07-9

• 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: (2S)-N-[2-(dimethylamino)ethyl]-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanamide
• CAS: 581062-07-9
• 化学式: C₂₄H₂₈N₄O₄
• 分子量: 436.511
• InChiKey: QQNYQOBGQHDAKB-DEOSSOPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.19
• 重原子数：
  32.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  107.69
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (2S)-N-[2-(dimethylamino)ethyl]-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanamide 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 0.33h， 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：

  N,N-二甲基乙二胺 、 喜树碱 以 various solvent(s) 为溶剂， 反应 2.0h， 生成 (2S)-N-[2-(dimethylamino)ethyl]-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanamide
  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