2-[3-(dimethylamino)propyl]-6-{[2-(dimethylamino)ethyl]-amino}-1H-benzo[de]isoquinoline-1,3(2H)-dione | 1072878-98-8

• 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-(dimethylamino)propyl]-6-{[2-(dimethylamino)ethyl]-amino}-1H-benzo[de]isoquinoline-1,3(2H)-dione
• 英文别名: 6-[2-(Dimethylamino)ethylamino]-2-[3-(dimethylamino)propyl]benzo[de]isoquinoline-1,3-dione
• CAS: 1072878-98-8
• 化学式: C₂₁H₂₈N₄O₂
• 分子量: 368.479
• InChiKey: YLXNOXYCBDMBHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  55.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[3-(dimethylamino)propyl]-6-{[2-(dimethylamino)ethyl]-amino}-1H-benzo[de]isoquinoline-1,3(2H)-dione 生成 2-[3-(dimethylamino)propyl]-6-{[2-(dimethylamino)ethyl]-amino}-1H-benzo[de]isoquinoline-1,3(2H)-dione hydrochloride
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of new mitonafide derivatives as potential antitumor drugs

  摘要：

  A series of potential DNA-binding antitumor agents, 2-[omega-(alkylamino) alkyl]-6-{[omega-(alkylamino) alkyl] amino}-1H-benzo[de] isoquinolin-1,3(2H)-diones and 1,7-bis{6-[(omega-(dimethylamino) alkyl) amino]-1,3dioxo-1H-benzo[de] isoquinolin-2(3H)-yl}-4-methyl-4-azaheptanes, have been prepared as mitonafide derivatives. Their DNA-binding ability and cytotoxic activity have been evaluated. Some of the target compounds have shown high DNA affinity as well as relevant cytotoxic properties. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.08.027
• 作为产物：
  描述：

  N,N-二甲基乙二胺 、 N-(3-dimethylaminopropyl)-4-chloro-1,8-naphthalimide 反应 1.5h， 以66%的产率得到2-[3-(dimethylamino)propyl]-6-{[2-(dimethylamino)ethyl]-amino}-1H-benzo[de]isoquinoline-1,3(2H)-dione
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of new mitonafide derivatives as potential antitumor drugs

  摘要：

  A series of potential DNA-binding antitumor agents, 2-[omega-(alkylamino) alkyl]-6-{[omega-(alkylamino) alkyl] amino}-1H-benzo[de] isoquinolin-1,3(2H)-diones and 1,7-bis{6-[(omega-(dimethylamino) alkyl) amino]-1,3dioxo-1H-benzo[de] isoquinolin-2(3H)-yl}-4-methyl-4-azaheptanes, have been prepared as mitonafide derivatives. Their DNA-binding ability and cytotoxic activity have been evaluated. Some of the target compounds have shown high DNA affinity as well as relevant cytotoxic properties. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.08.027