(+)-(5R,5aS,9aR,10S,11R)-5a,6,7,8,9,9a,10,11-octahydro-11-exo-hydroxy-5-methyl-5H-dibenzocyclohepten-5,10-imine | 125024-02-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (+)-(5R,5aS,9aR,10S,11R)-5a,6,7,8,9,9a,10,11-octahydro-11-exo-hydroxy-5-methyl-5H-dibenzocyclohepten-5,10-imine
• 英文别名: (1R,8R,9S,10R,15S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-8-ol
• CAS: 125024-02-4
• 化学式: C₁₆H₂₁NO
• 分子量: 243.349
• InChiKey: QUUVVNAADCNVJY-YXLJTMCISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (8R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol 在 sodium tetrahydroborate 、 rhodium(III) chloride 作用下， 以 乙醇 为溶剂， 以34%的产率得到(+)-(5R,5aS,9aR,10S,11R)-5a,6,7,8,9,9a,10,11-octahydro-11-exo-hydroxy-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

• LYLE, TERRY A.;MAGILL, CATHERINE A.;BRITCHER, SUSAN F.;DENNY, GEORGE H.;T+, J. MED. CHEM., 33,(1990) N, C. 1047-1052
  作者：LYLE, TERRY A.、MAGILL, CATHERINE A.、BRITCHER, SUSAN F.、DENNY, GEORGE H.、T+

  DOI：——

  日期：——