2-[3-[4-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]propyl]benzo[de]isoquinoline-1,3-dione | 482378-25-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-[3-[4-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]propyl]benzo[de]isoquinoline-1,3-dione
• CAS: 482378-25-6
• 化学式: C₃₂H₃₅N₃O₇S₂
• 分子量: 637.778
• InChiKey: PRPHESDQTCXPRR-DEOSSOPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  44
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  173
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-[3-[4-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]propyl]benzo[de]isoquinoline-1,3-dione 在 tin(ll) chloride 作用下， 以 甲醇 为溶剂， 生成 2-[3-[5-amino-4-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl]-2-methoxyphenoxy]propyl]benzo[de]isoquinoline-1,3-dione
  参考文献：
  名称：

  Design and synthesis of C-8 linked pyrrolobenzodiazepine–naphthalimide hybrids as anti-tumour agents

  摘要：

  The facile synthesis of C-8 linked pyrrolobenzodiazepine-naphthalimide hybrid analogues is described. The compounds are prepared with varying degrees of linker length in order to probe the structural requirements for optimal in vitro anti-tumour activity. Some of these new hybrid compounds showed higher cytotoxic activity than the existing natural and synthetic pyrrolo[2,1-c][1,4]benzodiazepines. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00326-8
• 作为产物：
  描述：

  香草酸 在 sodium hydroxide 、 三甲基氯硅烷 、 氯化亚砜 、 硫酸 、 三氟化硼乙醚 、 硝酸 、 二异丁基氢化铝 、 potassium carbonate 、 三氟乙酸 、 乙硫醇 作用下， 以 四氢呋喃 、 二氯甲烷 、 丙酮 、 苯 为溶剂， 生成 2-[3-[4-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]propyl]benzo[de]isoquinoline-1,3-dione
  参考文献：
  名称：

  Design and synthesis of C-8 linked pyrrolobenzodiazepine–naphthalimide hybrids as anti-tumour agents

  摘要：

  The facile synthesis of C-8 linked pyrrolobenzodiazepine-naphthalimide hybrid analogues is described. The compounds are prepared with varying degrees of linker length in order to probe the structural requirements for optimal in vitro anti-tumour activity. Some of these new hybrid compounds showed higher cytotoxic activity than the existing natural and synthetic pyrrolo[2,1-c][1,4]benzodiazepines. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00326-8

文献信息

• Design and synthesis of C-8 linked pyrrolobenzodiazepine–naphthalimide hybrids as anti-tumour agents
  作者：Ahmed Kamal、B.S.Narayan Reddy、G.Suresh Kumar Reddy、G. Ramesh

  DOI：10.1016/s0960-894x(02)00326-8

  日期：2002.8

  The facile synthesis of C-8 linked pyrrolobenzodiazepine-naphthalimide hybrid analogues is described. The compounds are prepared with varying degrees of linker length in order to probe the structural requirements for optimal in vitro anti-tumour activity. Some of these new hybrid compounds showed higher cytotoxic activity than the existing natural and synthetic pyrrolo[2,1-c][1,4]benzodiazepines. (C) 2002 Elsevier Science Ltd. All rights reserved.