1-(4-Isopropyl benzenesulfonyl)-5-(4-ethylpiperazin-1-yl-methyl)-1H-indole | 1039308-19-4

• 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: 1-(4-Isopropyl benzenesulfonyl)-5-(4-ethylpiperazin-1-yl-methyl)-1H-indole
• 英文别名: 5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole
• CAS: 1039308-19-4
• 化学式: C₂₄H₃₁N₃O₂S
• 分子量: 425.595
• InChiKey: IMMOUXZOUPDXQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  53.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对-异丙基苯磺酰氯 、 5-(4-ethylpiperazin-1-yl-methyl)-1H-indole 在 potassium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 1-(4-Isopropyl benzenesulfonyl)-5-(4-ethylpiperazin-1-yl-methyl)-1H-indole
  参考文献：
  名称：

  Novel and Potent 5-Piperazinyl Methyl-N₁-aryl Sulfonyl Indole Derivatives as 5-HT₆ Receptor Ligands

  摘要：

  The exclusive distribution of 5-HT6 receptors in the brain regions associated with learing and memory makes it an ideal target for cognitive disorders. A novel series of 5-piperazinyl methyl-N-1-aryl sulfonyl indoles were designed and synthesized as 5-HT6R ligands. Most of the synthesized compounds are potent when tested by in vitro radiogland binding assay. The lead compound from the series does not have the CYP liabilities and is active in an animal model of cognition.

  DOI：

  10.1021/ml100101u

文献信息

• Novel and Potent 5-Piperazinyl Methyl-<i>N</i>₁-aryl Sulfonyl Indole Derivatives as 5-HT₆ Receptor Ligands
  作者：Ramakrishna V. S. Nirogi、Prabhakar Kothmirkar、Ramasastri Kambhampati、Jagadish Babu Konda、Sobhanadri Arepalli、Narasimhareddy G. Pamuleti、Amol D. Deshpande、Trinathreddy Bandyala、Anil K. Shinde、P. K. Dubey

  DOI：10.1021/ml100101u

  日期：2010.10.14

  The exclusive distribution of 5-HT6 receptors in the brain regions associated with learing and memory makes it an ideal target for cognitive disorders. A novel series of 5-piperazinyl methyl-N-1-aryl sulfonyl indoles were designed and synthesized as 5-HT6R ligands. Most of the synthesized compounds are potent when tested by in vitro radiogland binding assay. The lead compound from the series does not have the CYP liabilities and is active in an animal model of cognition.