7-methoxy-2-(4-phenylbutyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole | 240117-86-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 7-methoxy-2-(4-phenylbutyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
• CAS: 240117-86-6
• 化学式: C₂₂H₂₆N₂O
• 分子量: 334.461
• InChiKey: SAVHMFFAJHYUHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.56
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  28.26
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  7-methoxy-2-(4-phenylbutyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 2-(4-Phenyl-butyl)-2,3,4,9-tetrahydro-1H-beta-carbolin-7-ol
  参考文献：
  名称：

  Structure-activity relationship for a series of 2-substituted 1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indoles: Potent subtype-selective inhibitors of (NMDA) receptors

  摘要：

  series of 2-substituted 1,2,3,4-tetrahydro-9H-pyrido[3,4-b] indoles was synthesized as potential antagonists for the NR1A/2B subtype of N-methyl-D-aspartate (NMDA) receptors. Assayed by electrical recording under steady-state conditions, 7-hydroxy-2-(4-phenylbutyl)-1,2,3,4-tetrahydropyrido-[3,4-b]indole (30) was the most potent compound in the series having an IC50 value of 50 nM at the MR1A/2B receptors. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00248-6
• 作为产物：
  描述：

  3-(2-氨基乙基)-6-甲氧基吲哚 在 水 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 7-methoxy-2-(4-phenylbutyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
  参考文献：
  名称：

  Structure-activity relationship for a series of 2-substituted 1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indoles: Potent subtype-selective inhibitors of (NMDA) receptors

  摘要：

  series of 2-substituted 1,2,3,4-tetrahydro-9H-pyrido[3,4-b] indoles was synthesized as potential antagonists for the NR1A/2B subtype of N-methyl-D-aspartate (NMDA) receptors. Assayed by electrical recording under steady-state conditions, 7-hydroxy-2-(4-phenylbutyl)-1,2,3,4-tetrahydropyrido-[3,4-b]indole (30) was the most potent compound in the series having an IC50 value of 50 nM at the MR1A/2B receptors. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00248-6