N,N'-bis[2-[[3-(dimethylamino)propyl]carbamoyl]ethyl]naphtho[2,1-b]thiophene-4,8-dicarboxamide | 1009318-16-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N,N'-bis[2-[[3-(dimethylamino)propyl]carbamoyl]ethyl]naphtho[2,1-b]thiophene-4,8-dicarboxamide
• 英文别名: 4-N,8-N-bis[3-[3-(dimethylamino)propylamino]-3-oxopropyl]benzo[e][1]benzothiole-4,8-dicarboxamide
• CAS: 1009318-16-4
• 化学式: C₃₀H₄₂N₆O₄S
• 分子量: 582.767
• InChiKey: VHZQPAZERNUEJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  41
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  151
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N,N'-bis[2-[[3-(dimethylamino)propyl]carbamoyl]ethyl]naphtho[2,1-b]thiophene-4,8-dicarboxamide 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以74%的产率得到N,N'-bis[2-[[3-(dimethylamino)propyl]carbamoyl]ethyl]naphtho[2,1-b]thiophene-4,8-dicarboxamide dihydrochloride
  参考文献：
  名称：

  4,8-取代萘并[2,1-b]噻吩螺纹嵌入剂的合成

  摘要：

  Abstractmagnified imageEight 4,8‐substitiutednaphtho[2,1‐b]thiophenes with cationic containing side chains were synthesized as potential threading intercalators and their DNA binding affinity was evaluated. The key step in the synthesis of these systems was oxidative‐photocyclizatJon of α‐(2‐thienyl)‐β‐(4‐methoxycarbonylphenyl) acrylic acid. Various N ,N‐dimethylaminoalkylammes were coupled With naphtho[2,1‐b]thiophene 4,8‐dicarboxylic acid to yield the title compounds.

  DOI：

  10.1002/jhet.2008.45.1.123
• 作为产物：
  描述：

  N,N'-bis[2-carboxyethyl]naphtho[2,1-b]thiophene-4,8-dicarboxamide 、 N,N-二甲基-1,3-二氨基丙烷 在 N,N'-羰基二咪唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以74%的产率得到N,N'-bis[2-[[3-(dimethylamino)propyl]carbamoyl]ethyl]naphtho[2,1-b]thiophene-4,8-dicarboxamide
  参考文献：
  名称：

  4,8-取代萘并[2,1-b]噻吩螺纹嵌入剂的合成

  摘要：

  Abstractmagnified imageEight 4,8‐substitiutednaphtho[2,1‐b]thiophenes with cationic containing side chains were synthesized as potential threading intercalators and their DNA binding affinity was evaluated. The key step in the synthesis of these systems was oxidative‐photocyclizatJon of α‐(2‐thienyl)‐β‐(4‐methoxycarbonylphenyl) acrylic acid. Various N ,N‐dimethylaminoalkylammes were coupled With naphtho[2,1‐b]thiophene 4,8‐dicarboxylic acid to yield the title compounds.

  DOI：

  10.1002/jhet.2008.45.1.123

文献信息

• Synthesis of 4,8‐Substitiutednaphtho[2,1‐ <i>b</i> ]thiophene Threading Intercalators
  作者：Sahar Badr、Mohamed M. El-Kerdawy、Farial A. Tanious、W. David Wilson、David W. Boykin

  DOI：10.1002/jhet.2008.45.1.123

  日期：2008.1

  Abstractmagnified imageEight 4,8‐substitiutednaphtho[2,1‐b]thiophenes with cationic containing side chains were synthesized as potential threading intercalators and their DNA binding affinity was evaluated. The key step in the synthesis of these systems was oxidative‐photocyclizatJon of α‐(2‐thienyl)‐β‐(4‐methoxycarbonylphenyl) acrylic acid. Various N ,N‐dimethylaminoalkylammes were coupled With naphtho[2,1‐b]thiophene 4,8‐dicarboxylic acid to yield the title compounds.