3-{1-methyl-4-[3-(4'-bromobenzoyl)propanoylamino]pyrrole-2-carboxamido}dimethylaminopropane

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-{1-methyl-4-[3-(4'-bromobenzoyl)propanoylamino]pyrrole-2-carboxamido}dimethylaminopropane
• 英文别名: 4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-N-[3-(dimethylamino)propyl]-1-methylpyrrole-2-carboxamide
• 化学式: C₂₁H₂₇BrN₄O₃
• 分子量: 463.374
• InChiKey: HBZWBGDCQCVRSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  83.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,2,2-三氯-1-(1-甲基-1H-吡咯-2-基)-乙酮 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 、 硝酸 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 乙酸酐 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 3-{1-methyl-4-[3-(4'-bromobenzoyl)propanoylamino]pyrrole-2-carboxamido}dimethylaminopropane
  参考文献：
  名称：

  Bromoacetophenone-Based Photonucleases:  Photoinduced Cleavage of DNA by 4‘-Bromoacetophenone−Pyrrolecarboxamide Conjugates

  摘要：

  [GRAPHICS]4'-Bromoacetophenone derivatives which upon excitation can generate monophenyl radicals capable of hydrogen atom abstraction were investigated as photoinducible DNA cleaving agents. Pyrrolecarboxamide-conjugated 4'-bromoacetophenones were synthesized, and their DNA cleaving activities and sequence selectivities were determined.

  DOI：

  10.1021/ol9903279

文献信息

• Bromoacetophenone-Based Photonucleases:  Photoinduced Cleavage of DNA by 4‘-Bromoacetophenone−Pyrrolecarboxamide Conjugates
  作者：Paul A. Wender、Raok Jeon

  DOI：10.1021/ol9903279

  日期：1999.12.1

  [GRAPHICS]4'-Bromoacetophenone derivatives which upon excitation can generate monophenyl radicals capable of hydrogen atom abstraction were investigated as photoinducible DNA cleaving agents. Pyrrolecarboxamide-conjugated 4'-bromoacetophenones were synthesized, and their DNA cleaving activities and sequence selectivities were determined.