4,4'-bis-(1-methyl-3-hydroxy-morpholinyl-3)-biphenyl | 54914-48-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 4,4'-bis-(1-methyl-3-hydroxy-morpholinyl-3)-biphenyl
• 英文别名: 4.4'-Bis-<1-methyl-3-hydroxy-morpholinyl-(3)>-biphenyl
• CAS: 54914-48-6
• 化学式: C₂₂H₂₈N₂O₄
• 分子量: 384.475
• InChiKey: UOPOYIWGBCZMTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.57
• 重原子数：
  28.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  65.4
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4,4'-bis-(1-methyl-3-hydroxy-morpholinyl-3)-biphenyl 、 [¹⁸F]-fluoromethyl triflate 以 丙酮 为溶剂， 反应 0.17h， 生成
  参考文献：
  名称：

  Synthesis and biodistribution of new radiolabeled high-affinity choline transporter inhibitors [11C]hemicholinium-3 and [18F]hemicholinium-3

  摘要：

  The high-affinity choline transporter (CHT1) system is an attractive target for the development of positron emission tomography (PET) biomarkers to probe brain, cardiac, and cancer diseases. An efficient and convenient synthesis of new radiolabeled CHT1 inhibitors [C-11]hemicholinium-3 and [F-18]hemicholinium-3 by solid-phase extraction (SPE) technique using a cation-exchange CM Sep-Pak cartridge has been well developed. The preliminary evaluation of both tracers through biodistribution studies in 9L-glioma rats has been performed, and the uptakes in the heart and tumor were observed, while very low brain uptake was seen. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.105
• 作为产物：
  描述：

  N-甲基-2-羟基乙胺 、 4,4'-二(2-溴乙酰基)联苯 以 四氢呋喃 为溶剂， 反应 2.0h， 以87%的产率得到4,4'-bis-(1-methyl-3-hydroxy-morpholinyl-3)-biphenyl
  参考文献：
  名称：

  Synthesis and biodistribution of new radiolabeled high-affinity choline transporter inhibitors [11C]hemicholinium-3 and [18F]hemicholinium-3

  摘要：

  The high-affinity choline transporter (CHT1) system is an attractive target for the development of positron emission tomography (PET) biomarkers to probe brain, cardiac, and cancer diseases. An efficient and convenient synthesis of new radiolabeled CHT1 inhibitors [C-11]hemicholinium-3 and [F-18]hemicholinium-3 by solid-phase extraction (SPE) technique using a cation-exchange CM Sep-Pak cartridge has been well developed. The preliminary evaluation of both tracers through biodistribution studies in 9L-glioma rats has been performed, and the uptakes in the heart and tumor were observed, while very low brain uptake was seen. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.105

文献信息

• DOMER; SCHUELER, Journal of the American Pharmaceutical Association (1961), 1960, vol. 49, p. 553 - 556
  作者：DOMER、SCHUELER

  DOI：——

  日期：——