| 1234562-95-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• CAS: 1234562-95-8
• 化学式: C₁₉H₂₆N₄O₃
• 分子量: 358.44
• InChiKey: XOTWCEFBKXWQQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.44
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  69.93
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 一水合肼 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 5.0h， 生成 (4-ethylpiperazin-1-yl)(1H-indol-5-yl)methanone
  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
• 作为产物：
  描述：

  四氢吡咯 、 (4-ethylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone 、 N,N-二甲基甲酰胺二甲基缩醛 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成
  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