3-(2-bromoethylamino)-8-oxo-8H-cyclopenta[a]acenaphthylene-7-carbonitrile | 882046-47-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(2-bromoethylamino)-8-oxo-8H-cyclopenta[a]acenaphthylene-7-carbonitrile
• CAS: 882046-47-1
• 化学式: C₁₈H₁₁BrN₂O
• 分子量: 351.202
• InChiKey: FWEWYUPWJYPJIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  52.89
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-(2-bromoethylamino)-8-oxo-8H-cyclopenta[a]acenaphthylene-7-carbonitrile 、 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， 生成
  参考文献：
  名称：

  Synthesis and evaluation of novel 8-oxo-8H-cyclopenta[a]acenaphthylene-7-carbonitriles as long-wavelength fluorescent markers for hypoxic cells in solid tumor

  摘要：

  Novel bioreductive and long-wavelength fluorescent markers for hypoxic cells in solid tumor, 9-isocyano-8H-acenaphtho[1,2-b]pyrrol-8-one with the side chain of 2-nitroimidazole, were designed, synthesized, and evaluated in V79 379A Chinese hamster cells in vitro. Compounds A(2) and A(4) showed good hypoxic-oxic fluorescence differential in vitro (V79 cells) by using fluorescence scan ascent. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.031
• 作为产物：
  描述：

  3-(2-hydroxyethylamino)-8-oxo-8H-cyclopenta[a]acenaphthylene-7-carbonitrile 在 溴 、 三氯化磷 作用下， 以 乙酸乙酯 为溶剂， 反应 5.0h， 以85%的产率得到3-(2-bromoethylamino)-8-oxo-8H-cyclopenta[a]acenaphthylene-7-carbonitrile
  参考文献：
  名称：

  Synthesis and evaluation of novel 8-oxo-8H-cyclopenta[a]acenaphthylene-7-carbonitriles as long-wavelength fluorescent markers for hypoxic cells in solid tumor

  摘要：

  Novel bioreductive and long-wavelength fluorescent markers for hypoxic cells in solid tumor, 9-isocyano-8H-acenaphtho[1,2-b]pyrrol-8-one with the side chain of 2-nitroimidazole, were designed, synthesized, and evaluated in V79 379A Chinese hamster cells in vitro. Compounds A(2) and A(4) showed good hypoxic-oxic fluorescence differential in vitro (V79 cells) by using fluorescence scan ascent. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.031