2-[2-(2-bromoethoxy)ethyl]-6-[2-(2-bromoethoxy)ethylamino]benzo[de]isoquinoline-1,3-dione | 903499-40-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-[2-(2-bromoethoxy)ethyl]-6-[2-(2-bromoethoxy)ethylamino]benzo[de]isoquinoline-1,3-dione
• CAS: 903499-40-1
• 化学式: C₂₀H₂₂Br₂N₂O₄
• 分子量: 514.214
• InChiKey: QEQIBNGNAYZCLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.67
• 重原子数：
  28.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  67.87
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-[2-(2-bromoethoxy)ethyl]-6-[2-(2-bromoethoxy)ethylamino]benzo[de]isoquinoline-1,3-dione 、 3-硝基-1,2,4-三氮唑 在 sodium methylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以52%的产率得到2-{2-[2-(3-nitro[1,2,4]triazol-1-yl)ethoxy]ethyl}-6-{2-[2-(3-nitro[1,2,4]triazol-1-yl)ethoxy]ethylamino}benzo[de]isoquinoline-1,3-dione
  参考文献：
  名称：

  Novel fluorescent markers for hypoxic cells of naphthalimides with two heterocyclic side chains for bioreductive binding

  摘要：

  Novel naphthalimides with two heterocyclic side chains of 2-nitroimidazole for bioreductive binding were designed, synthesized, and used as fluorescent markers for hypoxic cells. Their evaluation for imaging tumor hypoxia was carried Out in V79 cells, CHO cells, and 95D cells in vitro by using fluorescence scan ascent. A(2) and A(4) showed a very large differential fluorescence between hypoxic and oxic cells (V79 cells) in vitro and are promising candidate markers for hypoxic cells. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.12.012
• 作为产物：
  描述：

  2-[2-(2-Hydroxyethoxy)ethyl]-6-[2-(2-hydroxyethoxy)ethylamino]benzo[de]isoquinoline-1,3-dione 在 溴 、 三氯化磷 作用下， 以 乙酸乙酯 为溶剂， 反应 5.0h， 以82%的产率得到2-[2-(2-bromoethoxy)ethyl]-6-[2-(2-bromoethoxy)ethylamino]benzo[de]isoquinoline-1,3-dione
  参考文献：
  名称：

  Novel fluorescent markers for hypoxic cells of naphthalimides with two heterocyclic side chains for bioreductive binding

  摘要：

  Novel naphthalimides with two heterocyclic side chains of 2-nitroimidazole for bioreductive binding were designed, synthesized, and used as fluorescent markers for hypoxic cells. Their evaluation for imaging tumor hypoxia was carried Out in V79 cells, CHO cells, and 95D cells in vitro by using fluorescence scan ascent. A(2) and A(4) showed a very large differential fluorescence between hypoxic and oxic cells (V79 cells) in vitro and are promising candidate markers for hypoxic cells. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.12.012