| 872579-13-0

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 木脂素内酯
• CAS: 872579-13-0
• 化学式: C₄₁H₄₇N₂O₁₂
• 分子量: 759.83
• InChiKey: AESBAFDNQMQSGE-NIWPTOSLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  55
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  141
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  在 苯肼 作用下， 以 氘代氯仿 为溶剂， 反应 0.17h， 生成 [(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] (2S)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-3-phenylpropanoate
  参考文献：
  名称：

  Synthesis of Novel Spin‐Labeled Derivatives of Podophyllotoxin as Potential Antineoplastic Agents

  摘要：

  Five novel nitroxyl spin-labeled ester derivatives of podophyllotoxin have been prepared by reacting the corresponding N-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyloxycarbonyl) amino acids with the hydroxy group of podophyllotoxin in the presence of dimethylaminopyridine and N,N-dicyclohexylcarbodiimide and evaluated as potential antitumor agents. All of the target compounds showed more significant cytotoxicity against P-388 murine leukemia and A-549 human lung carcinoma in vitro than etoposide.

  DOI：

  10.1080/00397910500287983
• 作为产物：
  描述：

  N-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyloxycarbonyl)-imidazolium tosylate 在 4-二甲氨基吡啶 、 sodium azide 、 magnesium oxide 、 N,N'-二环己基碳二亚胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 26.5h， 生成
  参考文献：
  名称：

  Synthesis of Novel Spin‐Labeled Derivatives of Podophyllotoxin as Potential Antineoplastic Agents

  摘要：

  Five novel nitroxyl spin-labeled ester derivatives of podophyllotoxin have been prepared by reacting the corresponding N-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyloxycarbonyl) amino acids with the hydroxy group of podophyllotoxin in the presence of dimethylaminopyridine and N,N-dicyclohexylcarbodiimide and evaluated as potential antitumor agents. All of the target compounds showed more significant cytotoxicity against P-388 murine leukemia and A-549 human lung carcinoma in vitro than etoposide.

  DOI：

  10.1080/00397910500287983

文献信息

• Synthesis of Novel Spin‐Labeled Derivatives of Podophyllotoxin as Potential Antineoplastic Agents
  作者：Ying‐Qian Liu、Xuan Tian

  DOI：10.1080/00397910500287983

  日期：2005.11.1

  Five novel nitroxyl spin-labeled ester derivatives of podophyllotoxin have been prepared by reacting the corresponding N-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyloxycarbonyl) amino acids with the hydroxy group of podophyllotoxin in the presence of dimethylaminopyridine and N,N-dicyclohexylcarbodiimide and evaluated as potential antitumor agents. All of the target compounds showed more significant cytotoxicity against P-388 murine leukemia and A-549 human lung carcinoma in vitro than etoposide.