| 910249-98-8

• CAS: 910249-98-8
• 化学式: C₅₅H₆₂N₂O₁₇
• 分子量: 1023.1
• InChiKey: AZBCRNGYHLEYCF-XMQOCIEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.18
• 重原子数：
  74.0
• 可旋转键数：
  14.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  263.97
• 氢给体数：
  4.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  、 苯甲酸 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 氯仿 为溶剂， 反应 6.0h， 生成 [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-benzoyloxy-3-[[7-(diethylamino)-2-oxochromen-4-yl]methoxycarbonylamino]-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  参考文献：
  名称：

  Development of first photoresponsive prodrug of paclitaxel

  摘要：

  A prodrug of paclitaxel which has a coumarin derivative conjugated to the amino acid moiety of isotaxel (O-acyl isoform of paclitaxel) has been synthesized. The prodrug was selectively converted to isotaxel by visible light irradiation (430 nm) with the cleavage of coumarin. Finally, paclitaxel was released by subsequent spontaneous O-N intramolecular acyl migration. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.030
• 作为产物：
  描述：

  7-(二乙基氨基)-4-(羟基甲基)-2H-苯并吡喃-2-酮 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 26.0h， 生成
  参考文献：
  名称：

  Development of first photoresponsive prodrug of paclitaxel

  摘要：

  A prodrug of paclitaxel which has a coumarin derivative conjugated to the amino acid moiety of isotaxel (O-acyl isoform of paclitaxel) has been synthesized. The prodrug was selectively converted to isotaxel by visible light irradiation (430 nm) with the cleavage of coumarin. Finally, paclitaxel was released by subsequent spontaneous O-N intramolecular acyl migration. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.030