(2-methyl-1-(naphthalene-2-sulfonyl)-1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)methanimine

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2-methyl-1-(naphthalene-2-sulfonyl)-1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)methanimine
• 化学式: C₂₅H₂₆N₄O₂S
• 分子量: 446.573
• InChiKey: NRZRJLGAEIGVHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.92
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  57.91
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2-甲基吲哚-3-甲醛 在 potassium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 (2-methyl-1-(naphthalene-2-sulfonyl)-1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)methanimine
  参考文献：
  名称：

  Design and synthesis of novel series of 5-HT6 receptor ligands having indole, a central aromatic core and 1-amino-4 methyl piperazine as a positive ionizable group

  摘要：

  The exclusive distribution of 5-HT6 receptor in the brain regions and high affinity for antipsychotic and antidepressant drugs makes 5-HT6 receptor a promising target in treatment of CNS diseases. Based on a pharmacophore model reported in the literature, we designed and synthesized a novel series of 5-HT6 receptor ligands having indole as a central aromatic core and 1-amino-4-methyl piperazine as positive ionizable group. Out of 32 compounds we have successfully identified 10 new compounds as 5-HT6 receptor antagonists. The structure-activity relationship (SAR) studies have been carried out by mapping the compounds with the 3D QSAR model. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.05.051

文献信息

• Design and synthesis of novel series of 5-HT6 receptor ligands having indole, a central aromatic core and 1-amino-4 methyl piperazine as a positive ionizable group
  作者：Faisal Hayat、Sungjin Cho、Hyewhon Rhim、Ambily Nath Indu Viswanath、Ae Nim Pae、Jae Yeol Lee、Dong Joon Choo、Hea-Young Park Choo

  DOI：10.1016/j.bmc.2013.05.051

  日期：2013.9

  The exclusive distribution of 5-HT6 receptor in the brain regions and high affinity for antipsychotic and antidepressant drugs makes 5-HT6 receptor a promising target in treatment of CNS diseases. Based on a pharmacophore model reported in the literature, we designed and synthesized a novel series of 5-HT6 receptor ligands having indole as a central aromatic core and 1-amino-4-methyl piperazine as positive ionizable group. Out of 32 compounds we have successfully identified 10 new compounds as 5-HT6 receptor antagonists. The structure-activity relationship (SAR) studies have been carried out by mapping the compounds with the 3D QSAR model. (C) 2013 Elsevier Ltd. All rights reserved.