6-[1,1-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]hexanoate | 1256349-47-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-[1,1-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]hexanoate
• CAS: 1256349-47-9
• 化学式: C₄₀H₄₂N₂O₂
• 分子量: 582.786
• InChiKey: MQFHWNVLHOOSOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  BHQ3-amine 、 6-[1,1-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]hexanoate 在 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以64%的产率得到
  参考文献：
  名称：

  Hypoxia-Sensitive Fluorescent Probes for in Vivo Real-Time Fluorescence Imaging of Acute Ischemia

  摘要：

  Based on the findings that the azo functional group has excellent properties as the hypoxia-sensor moiety, we developed hypoxia-sensitive near-infrared fluorescent probes in which a large fluorescence increase is triggered by the cleavage of an azo bond. The probes were used for fluorescence imaging of hypoxic cells and real-time monitoring of ischemia in the liver and kidney of live mice.

  DOI：

  10.1021/ja105937q
• 作为产物：
  描述：

  3-(5-carboxypentyl)-1,1-dimethyl-2-(4-(phenylamino)buta-1,3-dien-1-yl)-1H-benzo[e]indol-3-ium bromide 、 1,1,2,3-四甲基-1H-苯[e]碘化吲哚 在 吡啶 、 溶剂黄146 作用下， 反应 2.0h， 以218 mg的产率得到6-[1,1-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]hexanoate
  参考文献：
  名称：

  Hypoxia-Sensitive Fluorescent Probes for in Vivo Real-Time Fluorescence Imaging of Acute Ischemia

  摘要：

  Based on the findings that the azo functional group has excellent properties as the hypoxia-sensor moiety, we developed hypoxia-sensitive near-infrared fluorescent probes in which a large fluorescence increase is triggered by the cleavage of an azo bond. The probes were used for fluorescence imaging of hypoxic cells and real-time monitoring of ischemia in the liver and kidney of live mice.

  DOI：

  10.1021/ja105937q

文献信息

• Catch and release microwave mediated synthesis of cyanine dyes
  作者：Maria Lopalco、Eftychia N. Koini、Jin Ku Cho、Mark Bradley

  DOI：10.1039/b820719b

  日期：——

  Unsymmetrical functionalised cyanine dyes, covering the whole colour range, were readily synthesised (in 100 mg amounts) by a combination of microwave and solid-phase methodologies.

  通过微波和固相方法的结合，可以轻松合成覆盖整个颜色范围的不对称功能化花青染料（合成量达100毫克）。