9-(4'-methylamino-allyloxycarbamate)anilinoacridine-4-carboxylic acid | 302923-28-0

• 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: 9-(4'-methylamino-allyloxycarbamate)anilinoacridine-4-carboxylic acid
• 英文别名: 9-[4-[(Prop-2-enoxycarbonylamino)methyl]anilino]acridine-4-carboxylic acid
• CAS: 302923-28-0
• 化学式: C₂₅H₂₁N₃O₄
• 分子量: 427.459
• InChiKey: WKXSHNRTFFVCLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-羟基丁二酰亚胺 、 9-(4'-methylamino-allyloxycarbamate)anilinoacridine-4-carboxylic acid 在 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 (2,5-Dioxopyrrolidin-1-yl) 9-[4-[(prop-2-enoxycarbonylamino)methyl]anilino]acridine-4-carboxylate
  参考文献：
  名称：

  Solid-phase synthesis of acridine-based threading intercalator peptides

  摘要：

  The preparation of a novel acridine-based amino acid is reported. This N-Alloc-protected monomer call be coupled and deprotected under solid-phase peptide synthesis procedures to create acridine-peptide conjugates as potential threading intercalators. A peptide containing this novel amino acid undergoes spectral changes in the presence of duplex DNA and RNA consistent with intercalative binding. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00388-7
• 作为产物：
  描述：

  4-氨基苄胺 在 lithium hydroxide 、 TEA 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 42.0h， 生成 9-(4'-methylamino-allyloxycarbamate)anilinoacridine-4-carboxylic acid
  参考文献：
  名称：

  Solid-phase synthesis of acridine-based threading intercalator peptides

  摘要：

  The preparation of a novel acridine-based amino acid is reported. This N-Alloc-protected monomer call be coupled and deprotected under solid-phase peptide synthesis procedures to create acridine-peptide conjugates as potential threading intercalators. A peptide containing this novel amino acid undergoes spectral changes in the presence of duplex DNA and RNA consistent with intercalative binding. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00388-7

文献信息

• Solid-phase synthesis of acridine-based threading intercalator peptides
  作者：Coby B Carlson、Peter A Beal

  DOI：10.1016/s0960-894x(00)00388-7

  日期：2000.9

  The preparation of a novel acridine-based amino acid is reported. This N-Alloc-protected monomer call be coupled and deprotected under solid-phase peptide synthesis procedures to create acridine-peptide conjugates as potential threading intercalators. A peptide containing this novel amino acid undergoes spectral changes in the presence of duplex DNA and RNA consistent with intercalative binding. (C) 2000 Elsevier Science Ltd. All rights reserved.