N-[2-(二甲基氨基)乙基]-9-({2-甲氧基-4-[(甲基磺酰基)氨基]苯基}氨基)-4-吖啶甲酰胺 | 88476-68-0

• 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
• 中文名称: N-[2-(二甲基氨基)乙基]-9-({2-甲氧基-4-[(甲基磺酰基)氨基]苯基}氨基)-4-吖啶甲酰胺
• 英文名称: SN16713
• 英文别名: N-(2-(Dimethylamino)ethyl)-9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-4-acridinecarboxamide；N-[2-(dimethylamino)ethyl]-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide
• CAS: 88476-68-0
• 化学式: C₂₆H₂₉N₅O₄S
• 分子量: 507.613
• InChiKey: PCDQLFWIZFQMAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  121
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  9-chloroacridine-4-carbonyl chloride 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-[2-(二甲基氨基)乙基]-9-({2-甲氧基-4-[(甲基磺酰基)氨基]苯基}氨基)-4-吖啶甲酰胺
  参考文献：
  名称：

  DNA threading agents: effect of sidechain bulk on DNA binding and cytotoxicity of 9-anilinoacridine-4-carboxamides

  摘要：

  A series of 9-anilinoacridine-4-carboxamides with cycloalkyl sidechains has been synthesised to study the effect of sidechain bulk on the DNA binding properties and biological activity of these potential threading intercalators. With sidechains larger than cyclohexane the pKa of the acridine is exceptionally low, so that DNA binding is restricted to pHs below 5. The compounds are cytotoxic to human colon carcinoma cells in the mu M range irrespective of their ability to bind to DNA. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00325-3

文献信息

• DNA threading agents: effect of sidechain bulk on DNA binding and cytotoxicity of 9-anilinoacridine-4-carboxamides
  作者：Mark Searcey、P. Noel Martin、Nicola M. Howarth、Bernie Madden、Laurence P.G. Wakelin

  DOI：10.1016/0960-894x(96)00325-3

  日期：1996.8

  A series of 9-anilinoacridine-4-carboxamides with cycloalkyl sidechains has been synthesised to study the effect of sidechain bulk on the DNA binding properties and biological activity of these potential threading intercalators. With sidechains larger than cyclohexane the pKa of the acridine is exceptionally low, so that DNA binding is restricted to pHs below 5. The compounds are cytotoxic to human colon carcinoma cells in the mu M range irrespective of their ability to bind to DNA. Copyright (C) 1996 Elsevier Science Ltd