4-(4-(7-(diethylamino)-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carbonyl)-2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)benzoate | 1353777-85-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4-(4-(7-(diethylamino)-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carbonyl)-2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)benzoate
• CAS: 1353777-85-1
• 化学式: C₄₇H₅₁N₅O₇
• 分子量: 797.951
• InChiKey: HVJPJWNDTNZLJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.78
• 重原子数：
  59.0
• 可旋转键数：
  12.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  133.59
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  2-amino-3',6'-bis(diethylamino)-6-(4-(7-(diethylamino)-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carbonyl)spiro[isoindoline-1,9'-xanthen]-3-one 在 copper(II) choride dihydrate 作用下， 以 乙腈 为溶剂， 反应 0.25h， 以63.2%的产率得到4-(4-(7-(diethylamino)-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carbonyl)-2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)benzoate
  参考文献：
  名称：

  Development of FRET-Based Ratiometric Fluorescent Cu²⁺ Chemodosimeters and the Applications for Living Cell Imaging

  摘要：

  Coumarin-rhodamine-based compounds 1a,b were rationally designed and synthesized as novel FRET ratiometric fluorescent chemodosimeters. Ratiometric chemodosimeters 1a,b exhibit several favorable features, including a large variation in the emission ratio, well-resolved emission peaks, high sensitivity, high selectivity, low cytotoxicity, and good cell membrane permeability. Importantly, these excellent attributes enable us to demonstrate ratiometric imaging of Cu2+ in living cells by using these novel ratiometric fluorescent chemodosimeters.

  DOI：

  10.1021/ol202706k