(5R,10R)-6,9,10,11-tetrahydro-5-methyl-5H-dibenzocyclohepten-5,10-imine | 122956-61-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: (5R,10R)-6,9,10,11-tetrahydro-5-methyl-5H-dibenzocyclohepten-5,10-imine
• 英文别名: (5R,10R)-6,9,10,11-tetrahydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine；(1R,9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),12-pentaene
• CAS: 122956-61-0
• 化学式: C₁₆H₁₇N
• 分子量: 223.318
• InChiKey: USJBTAAJQVQXDD-CVEARBPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-甲基-16-氮杂四环[7.6.1.02,7.010,15]十六碳-2,4,6,10,12,14-六烯 在 正丙胺 、 lithium 、 异丙醇 作用下， 反应 3.75h， 以3%的产率得到(5R,10R)-6,9,10,11-tetrahydro-5-methyl-5H-dibenzocyclohepten-5,10-imine
  参考文献：
  名称：

  Structure and activity of hydrogenated derivatives of (+)-5-methyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imine (MK-801)

  摘要：

  Several hydrogenated derivatives of the potent NMDA antagonist 1 have been prepared and evaluated as competitive inhibitors of [3H]-1 binding. These compounds were also tested for their ability to act as noncompetitive antagonists of NMDA in vitro. These studies indicate that two aromatic rings are not strictly required for high-affinity binding or NMDA antagonism.

  DOI：

  10.1021/jm00165a026

文献信息

• Structure and activity of hydrogenated derivatives of (+)-5-methyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imine (MK-801)
  作者：Terry A. Lyle、Catherine A. Magill、Susan F. Britcher、George H. Denny、Wayne J. Thompson、Joan S. Murphy、Antony R. Knight、John A. Kemp、George R. Marshall

  DOI：10.1021/jm00165a026

  日期：1990.3

  Several hydrogenated derivatives of the potent NMDA antagonist 1 have been prepared and evaluated as competitive inhibitors of [3H]-1 binding. These compounds were also tested for their ability to act as noncompetitive antagonists of NMDA in vitro. These studies indicate that two aromatic rings are not strictly required for high-affinity binding or NMDA antagonism.