2-Iodobenzetimide | 119413-94-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-Iodobenzetimide
• 英文别名: 3-[1-[(2-Iodophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
• CAS: 119413-94-4
• 化学式: C₂₃H₂₅IN₂O₂
• 分子量: 488.368
• InChiKey: NEJXUHQUNXXYQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-苯基-1'-(苯基甲基)-[3,4'-联哌啶]-2,6-二酮 在 palladium on activated charcoal 盐酸 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 乙醇 为溶剂， 25.0 ℃ 、413.69 kPa 条件下， 反应 72.0h， 生成 2-Iodobenzetimide
  参考文献：
  名称：

  Synthesis and biological evaluation of iodine-125- and iodine-123-4-iododexetimide, a potent muscarinic cholinergic receptor antagonist

  摘要：

  A series of halogenated racemic analogues of dexetimide (1) was synthesized and their affinity for the muscarinic cholinergic receptor measured. One analogue, 4-iododexetimide (21), was efficiently labeled with 125I and 123I at high specific activity. In vitro binding studies and in vivo biodistribution studies suggest that 123I-labeled 21 may be useful for imaging muscarinic cholinergic receptors in the living human brain with single photon emission computed tomography.

  DOI：

  10.1021/jm00125a021

文献信息

• Synthesis and biological evaluation of iodine-125- and iodine-123-4-iododexetimide, a potent muscarinic cholinergic receptor antagonist
  作者：Alan A. Wilson、Robert F. Dannals、Hayden T. Ravert、J. James Frost、Henry N. Wagner

  DOI：10.1021/jm00125a021

  日期：1989.5

  A series of halogenated racemic analogues of dexetimide (1) was synthesized and their affinity for the muscarinic cholinergic receptor measured. One analogue, 4-iododexetimide (21), was efficiently labeled with 125I and 123I at high specific activity. In vitro binding studies and in vivo biodistribution studies suggest that 123I-labeled 21 may be useful for imaging muscarinic cholinergic receptors in the living human brain with single photon emission computed tomography.