N-[2-[(6-chloro-2-methoxy-acridin-9-yl)amino]ethyl]-2-(3,7,9-trimethyl-5-oxido-2,4,6,8-tetraoxo-pyrimido[5,4-g]pteridin-5-ium-1-yl)acetamide | 174873-67-7

• 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
• 英文名称: N-[2-[(6-chloro-2-methoxy-acridin-9-yl)amino]ethyl]-2-(3,7,9-trimethyl-5-oxido-2,4,6,8-tetraoxo-pyrimido[5,4-g]pteridin-5-ium-1-yl)acetamide
• 英文别名: N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-(3,7,9-trimethyl-5-oxido-2,4,6,8-tetraoxopyrimido[5,4-g]pteridin-5-ium-1-yl)acetamide
• CAS: 174873-67-7
• 化学式: C₂₉H₂₆ClN₉O₇
• 分子量: 648.035
• InChiKey: LFMBAQCARPEGEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  46
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  183
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  N-[2-[(6-chloro-2-methoxy-acridin-9-yl)amino]ethyl]-2-(3,7,9-trimethyl-5-oxido-2,4,6,8-tetraoxo-pyrimido[5,4-g]pteridin-5-ium-1-yl)acetamide 以 水 为溶剂， 生成
  参考文献：
  名称：

  Sysnthesis and DNA Photo-cleaving Activity of Novel Heterocyciclic N-oxide - Acridine Hybrid Molecules

  摘要：

  The novel DNA photo-cleaver consisting of the heterocyclic N-oxide, which is an efficient photochemical generator of hydroxyl radicals, an acridine intercalator, and an amide-type methylene linker was designed and synthesized. The preliminary DNA strand-breakage study of the hybrid compounds demonstrated that the DNA photo-cleaving activity of the parent heterocyclic N-oxide increased by linking with the acridine intercalator.

  DOI：

  10.3987/com-94-s2
• 作为产物：
  描述：

  1,3-二甲基-6-亚氨基-5-异亚硝基尿嘧啶 在 盐酸 、 N-羟基丁二酰亚胺 、 sodium hydride 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.05h， 生成 N-[2-[(6-chloro-2-methoxy-acridin-9-yl)amino]ethyl]-2-(3,7,9-trimethyl-5-oxido-2,4,6,8-tetraoxo-pyrimido[5,4-g]pteridin-5-ium-1-yl)acetamide
  参考文献：
  名称：

  Sysnthesis and DNA Photo-cleaving Activity of Novel Heterocyciclic N-oxide - Acridine Hybrid Molecules

  摘要：

  The novel DNA photo-cleaver consisting of the heterocyclic N-oxide, which is an efficient photochemical generator of hydroxyl radicals, an acridine intercalator, and an amide-type methylene linker was designed and synthesized. The preliminary DNA strand-breakage study of the hybrid compounds demonstrated that the DNA photo-cleaving activity of the parent heterocyclic N-oxide increased by linking with the acridine intercalator.

  DOI：

  10.3987/com-94-s2

文献信息

• Sysnthesis and DNA Photo-cleaving Activity of Novel Heterocyciclic N-oxide - Acridine Hybrid Molecules
  作者：Magoichi Sako、Yoshifumi Takeda、Kosaku Hirota、Yoshifumi Maki

  DOI：10.3987/com-94-s2

  日期：——

  The novel DNA photo-cleaver consisting of the heterocyclic N-oxide, which is an efficient photochemical generator of hydroxyl radicals, an acridine intercalator, and an amide-type methylene linker was designed and synthesized. The preliminary DNA strand-breakage study of the hybrid compounds demonstrated that the DNA photo-cleaving activity of the parent heterocyclic N-oxide increased by linking with the acridine intercalator.