N-(4-Amino-butyl)-4-nitro-benzamide; hydrochloride | 142310-72-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-Amino-butyl)-4-nitro-benzamide; hydrochloride
• 英文别名: N-(4-aminobutyl)-4-nitrobenzamide;hydrochloride
• CAS: 142310-72-3
• 化学式: C₁₁H₁₅N₃O₃*ClH
• 分子量: 273.719
• InChiKey: QWBOHEQUCLPMON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.65
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(4-Amino-butyl)-4-nitro-benzamide; hydrochloride 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三氟乙酸 作用下， 生成
  参考文献：
  名称：

  Synthesis of novel DNA photocleaving agents with potent DNA cleaving activity

  摘要：

  Novel DNA photocleavers consisting of the photoactive p-nitrobenzoyl group, an intercalator and a DNA groove binder were designed and synthesized. The importance of the groove binding region to the DNA breakage ability was studied.

  DOI：

  10.1016/s0040-4039(00)79060-5
• 作为产物：
  描述：

  N(1)-p-nitrobenzoyl-N(4)-(tert-butyloxycarbonyl)-1,4-diaminobutane 在 盐酸 作用下， 生成 N-(4-Amino-butyl)-4-nitro-benzamide; hydrochloride
  参考文献：
  名称：

  Synthesis of novel DNA photocleaving agents with potent DNA cleaving activity

  摘要：

  Novel DNA photocleavers consisting of the photoactive p-nitrobenzoyl group, an intercalator and a DNA groove binder were designed and synthesized. The importance of the groove binding region to the DNA breakage ability was studied.

  DOI：

  10.1016/s0040-4039(00)79060-5

文献信息

• Synthesis of novel DNA photocleaving agents with potent DNA cleaving activity
  作者：Miho Shinomiya、Reiko Kuroda

  DOI：10.1016/s0040-4039(00)79060-5

  日期：1992.5

  Novel DNA photocleavers consisting of the photoactive p-nitrobenzoyl group, an intercalator and a DNA groove binder were designed and synthesized. The importance of the groove binding region to the DNA breakage ability was studied.