N-benzyl-N-methyl-6,7,8,9,10,11-hexahydro-9-methyl-5,9:7,11-dimethano-5H-benzocyclononen-7-amine hydrochloride | 1357114-96-5

• 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-benzyl-N-methyl-6,7,8,9,10,11-hexahydro-9-methyl-5,9:7,11-dimethano-5H-benzocyclononen-7-amine hydrochloride
• CAS: 1357114-96-5
• 化学式: C₂₄H₂₉N*ClH
• 分子量: 367.962
• InChiKey: VMCRKLGNWFTGNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.14
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  N-benzyl-N-methyl-6,7,8,9,10,11-hexahydro-9-methyl-5,9:7,11-dimethano-5H-benzocyclononen-7-amine hydrochloride 在 5%-palladium/activated carbon 、 氢气 、 hydrochloric acid diethyl ether 作用下， 以 乙醇 、 水 为溶剂， 90.0 ℃ 、101.33 kPa 条件下， 反应 24.0h， 以74%的产率得到N-methyl-6,7,8,9,10,11-hexahydro-9-methyl-5,9:7,11-dimethano-5H-benzocyclononen-7-amine hydrochloride
  参考文献：
  名称：

  Synthesis of benzopolycyclic cage amines: NMDA receptor antagonist, trypanocidal and antiviral activities

  摘要：

  The synthesis of several 6,7,8,9,10,11-hexahydro-9-methyl-5,7:9,11-dimethano-5H-benzocyclononen-7-amines is reported. Several of them display low micromolar NMDA receptor antagonist and/or trypanocidal activities. Two compounds are endowed with micromolar anti vesicular stomatitis virus activity, while only one compound shows micromolar anti-influenza activity. The anti-influenza activity of this compound does not seem to be mediated by blocking of the M2 protein. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.11.050
• 作为产物：
  描述：

  7,11-dimethylene-6,7,8,9-tetrahydro-5,9-propano-5H-benzocycloheptene 在 硫酸 、 sodium cyanoborohydride 、 溶剂黄146 、 硫脲 作用下， 以 甲醇 、 乙醇 、 水 、 乙腈 为溶剂， 反应 40.5h， 生成 N-benzyl-N-methyl-6,7,8,9,10,11-hexahydro-9-methyl-5,9:7,11-dimethano-5H-benzocyclononen-7-amine hydrochloride
  参考文献：
  名称：

  Synthesis of benzopolycyclic cage amines: NMDA receptor antagonist, trypanocidal and antiviral activities

  摘要：

  The synthesis of several 6,7,8,9,10,11-hexahydro-9-methyl-5,7:9,11-dimethano-5H-benzocyclononen-7-amines is reported. Several of them display low micromolar NMDA receptor antagonist and/or trypanocidal activities. Two compounds are endowed with micromolar anti vesicular stomatitis virus activity, while only one compound shows micromolar anti-influenza activity. The anti-influenza activity of this compound does not seem to be mediated by blocking of the M2 protein. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.11.050