| 1408294-77-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• CAS: 1408294-77-8
• 化学式: C₂HF₃O₂*C₄₆H₄₇N₉O₄
• 分子量: 903.961
• InChiKey: UMDACQDIIHXTRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.74
• 重原子数：
  66.0
• 可旋转键数：
  16.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  190.15
• 氢给体数：
  4.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  N-((1,8-bis((bis(pyridin-2-ylmethyl)amino)methyl)-6-hydroxy-3-oxo-3H-xanthen-5-yl)methyl)-2-chloroacetamide 在 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.5h， 生成
  参考文献：
  名称：

  Organelle-Localizable Fluorescent Chemosensors for Site-Specific Multicolor Imaging of Nucleoside Polyphosphate Dynamics in Living Cells

  摘要：

  ATP and its derivatives (nucleoside polyphosphates (NPPs)) are implicated in many biological events, so their rapid and convenient detection is important. In particular, live cell detection of NPPs at specific local regions of cells could greatly contribute understanding of the complicated roles of NPPs. We report herein the design of two new fluorescent chemosensors that detect the dynamics of NPPs in specific regions of living cells. To achieve imaging of NPPs on plasma membrane surfaces (2-2Zn(II)), a lipid anchor was introduced into xanthene-based, Zn(II) complex 1-2Zn(II); which was previously developed as a turn-on type fluorescent chemosensor for NPPs. Meanwhile, for subcellular imaging of ATP in mitochondria, we designed rhodamine-type complex 3-2Zn(II); which possesses a cationic. pyronin ring instead of xanthene Detailed spectroscopic, studies revealed that 2-2Zn(II) and 3-2Zn(II) can sense NPPs with a several-fold increase of their fluorescence intensities: through a sensing mechanism similar to 1-2Zn(II), involving binding induced recovery of the Conjugated form of the xantliene or pyronin ring: In live cell imaging, 2-2Zn(II) containing a lipid anchor selectively localized on the plasma membrane surface and detected the extracellular release of NPPs during cell necrosis induced by streptolysin O. on the other hand, rhodamine-type complex 3-2Zn(II) Spontaneously localized at mitochondria inside cells, and sensed the local increase of ATP concentration during apoptosis., Multicolor images were obtained through simultaneous use of 2-2Zn(II) and 3-2Zn(II), allowing detection of the dynamics of ATP in different cellular compartments at the same time.

  DOI：

  10.1021/ja308754g