6-(5-diethylamino-2-formylphenoxy)hexanoic acid {2-[2-(6-chlorohexyloxy)ethoxy]ethyl}amide | 1254701-44-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6-(5-diethylamino-2-formylphenoxy)hexanoic acid {2-[2-(6-chlorohexyloxy)ethoxy]ethyl}amide
• CAS: 1254701-44-4
• 化学式: C₂₇H₄₅ClN₂O₅
• 分子量: 513.118
• InChiKey: JOOLWKPMNJEYBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.23
• 重原子数：
  35.0
• 可旋转键数：
  23.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  77.1
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6-(5-diethylamino-2-formylphenoxy)hexanoic acid {2-[2-(6-chlorohexyloxy)ethoxy]ethyl}amide 、 2-(3-氰基-4,5,5-三甲基呋喃-2(5H)-亚甲基)丙二腈 在 吡啶 作用下， 以 异丙醇 为溶剂， 以48%的产率得到6-{2-[2-(4-cyano-5-dicyanomethylene-2,2-dimethyl-2,5-dihydrofuran-3-yl)vinyl]-5-diethylaminophenoxy}hexanoic acid {2-[2-(6-chlorohexyloxy)ethoxy]ethyl}amide
  参考文献：
  名称：

  Superresolution Imaging of Targeted Proteins in Fixed and Living Cells Using Photoactivatable Organic Fluorophores

  摘要：

  Superresolution imaging techniques based on sequential imaging of sparse subsets of single molecules require fluorophores whose emission can be photoactivated or photoswitched. Because typical organic fluorophores can emit significantly more photons than average fluorescent proteins, organic fluorophores have a potential advantage in super-resolution imaging schemes, but targeting to specific cellular proteins must be provided. We report the design and application of Halo Tag-based target-specific azido DCDHFs, a class of photoactivatable push pull fluorogens which produce bright fluorescent labels suitable for single-molecule superresolution imaging in live bacterial and fixed mammalian cells.

  DOI：

  10.1021/ja1044192
• 作为产物：
  描述：

  6-(5-diethylamino-2-formylphenoxy)hexanoic acid [2-(2-hydroxyethoxy)ethyl]amide 、 6-chloro-hexyl tosylate 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 1.0h， 以62%的产率得到6-(5-diethylamino-2-formylphenoxy)hexanoic acid {2-[2-(6-chlorohexyloxy)ethoxy]ethyl}amide
  参考文献：
  名称：

  Superresolution Imaging of Targeted Proteins in Fixed and Living Cells Using Photoactivatable Organic Fluorophores

  摘要：

  Superresolution imaging techniques based on sequential imaging of sparse subsets of single molecules require fluorophores whose emission can be photoactivated or photoswitched. Because typical organic fluorophores can emit significantly more photons than average fluorescent proteins, organic fluorophores have a potential advantage in super-resolution imaging schemes, but targeting to specific cellular proteins must be provided. We report the design and application of Halo Tag-based target-specific azido DCDHFs, a class of photoactivatable push pull fluorogens which produce bright fluorescent labels suitable for single-molecule superresolution imaging in live bacterial and fixed mammalian cells.

  DOI：

  10.1021/ja1044192