N-Adamantan-1-yl-N''-(3-methoxy-phenyl)-guanidine | 133985-73-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-Adamantan-1-yl-N''-(3-methoxy-phenyl)-guanidine
• 英文别名: 2-(1-adamantyl)-1-(3-methoxyphenyl)guanidine
• CAS: 133985-73-6
• 化学式: C₁₈H₂₅N₃O
• 分子量: 299.416
• InChiKey: HXEOOVDVZWTHKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  59.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-adamantylcyanamide 、 间苯胺氢氟乙酰氯 反应 1.75h， 生成 N-Adamantan-1-yl-N''-(3-methoxy-phenyl)-guanidine
  参考文献：
  名称：

  Radiosynthesis of .sigma. receptor ligands for positron emission tomography: carbon-11 and fluorine-18 labeled guanidines

  摘要：

  A series of analogues of the potent and selective sigma-receptor ligand 1,3-ditolylguanidine (DTG) were synthesized and demonstrated to have high affinity for the sigma-receptor as measured by in vitro [H-3]DTG displacement studies using guinea pig brain tissue. Three of these 1-aryl-3-(1-adamantyl)guanidines were radiolabeled - two with carbon-11 and one with fluorine-18. Radiochemical yields and specific activities were sufficient for these radiotracers to be used in positron emission tomography imaging of the haloperidol-sensitive sigma-receptor.

  DOI：

  10.1021/jm00110a017