iso-propyl-9-anilinoacridine-4-carboxylate | 278806-94-3

• 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: iso-propyl-9-anilinoacridine-4-carboxylate
• 英文别名: Propan-2-yl 9-anilinoacridine-4-carboxylate
• CAS: 278806-94-3
• 化学式: C₂₃H₂₀N₂O₂
• 分子量: 356.424
• InChiKey: LMYJLUKWVUHOMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  iso-propyl-9-anilinoacridine-4-carboxylate 在 lithium hydroxide 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 12.0h， 生成 (glycine-alanine-alanine)-9-anilinoacridine-4-carboxamide
  参考文献：
  名称：

  Solid-Phase Synthesis of Acridine−Peptide Conjugates and Their Analysis by Tandem Mass Spectrometry

  摘要：

  [GRAPHICS]A novel and high-yielding synthesis of 9-anilinoacridine-4-carboxylic acid is reported. This acid has been used in the solid-phase synthesis of a small combinatorial library of acridine-peptide conjugates, Tandem mass spectrometry IES (ES-MS/MS) can be used for structure determination of these compounds at a sensitivity of similar to 10 pmol. This work makes possible the generation of acridine-peptide libraries for the discovery of structure-specific nucleic acid ligands via affinity chromatography selection with mass spectrometric detection.

  DOI：

  10.1021/ol005809v
• 作为产物：
  描述：

  2-氯苯甲酸 在 三乙胺 、 N,N'-羰基二咪唑 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 126.5h， 生成 iso-propyl-9-anilinoacridine-4-carboxylate
  参考文献：
  名称：

  Solid-Phase Synthesis of Acridine−Peptide Conjugates and Their Analysis by Tandem Mass Spectrometry

  摘要：

  [GRAPHICS]A novel and high-yielding synthesis of 9-anilinoacridine-4-carboxylic acid is reported. This acid has been used in the solid-phase synthesis of a small combinatorial library of acridine-peptide conjugates, Tandem mass spectrometry IES (ES-MS/MS) can be used for structure determination of these compounds at a sensitivity of similar to 10 pmol. This work makes possible the generation of acridine-peptide libraries for the discovery of structure-specific nucleic acid ligands via affinity chromatography selection with mass spectrometric detection.

  DOI：

  10.1021/ol005809v

文献信息

• Solid-Phase Synthesis of Acridine−Peptide Conjugates and Their Analysis by Tandem Mass Spectrometry
  作者：Coby B. Carlson、Peter A. Beal

  DOI：10.1021/ol005809v

  日期：2000.5.1

  [GRAPHICS]A novel and high-yielding synthesis of 9-anilinoacridine-4-carboxylic acid is reported. This acid has been used in the solid-phase synthesis of a small combinatorial library of acridine-peptide conjugates, Tandem mass spectrometry IES (ES-MS/MS) can be used for structure determination of these compounds at a sensitivity of similar to 10 pmol. This work makes possible the generation of acridine-peptide libraries for the discovery of structure-specific nucleic acid ligands via affinity chromatography selection with mass spectrometric detection.