2,2,2-trifluoro-N-[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide | 735279-25-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2,2,2-trifluoro-N-[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
• CAS: 735279-25-1
• 化学式: C₁₂H₁₂F₃NO₂
• 分子量: 259.228
• InChiKey: AJIQBVSRUPSNCV-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,2,2-trifluoro-N-[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide 在 盐酸 、 四(三苯基膦)钯 、 sodium carbonate 、 溶剂黄146 、 三乙胺 、 lithium chloride 作用下， 以 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 8.0h， 生成 (S)-5-(2,6-Dimethoxy-phenyl)-1,2,3,4-tetrahydro-naphthalen-2-ylamine
  参考文献：
  名称：

  Novel 2-Aminotetralin and 3-AminoChroman Derivatives as Selective Serotonin 5-HT₇ Receptor Agonists and Antagonists

  摘要：

  The understanding of the physiological role of the G-protein coupled serotonin 5-HT7 receptor is largely rudimentary. Therefore, selective and potent pharmacological tools will add to the understanding of serotonergic effects mediated through this receptor. In this report, we describe two compound classes, chromans and tetralins, encompassing compounds with nanomolar affinity for the 5-HT7 receptor and with good selectivity. Within theses classes, we have discovered both agonists and antagonists that can be used for further understanding of the pharmacology of the 5-HT7 receptor.

  DOI：

  10.1021/jm0498102
• 作为产物：
  描述：

  (S)-2-trifluoroacetylamino-5-methoxy-1,2,3,4-terahydronaphthalene 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 2,2,2-trifluoro-N-[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
  参考文献：
  名称：

  Novel 2-Aminotetralin and 3-AminoChroman Derivatives as Selective Serotonin 5-HT₇ Receptor Agonists and Antagonists

  摘要：

  The understanding of the physiological role of the G-protein coupled serotonin 5-HT7 receptor is largely rudimentary. Therefore, selective and potent pharmacological tools will add to the understanding of serotonergic effects mediated through this receptor. In this report, we describe two compound classes, chromans and tetralins, encompassing compounds with nanomolar affinity for the 5-HT7 receptor and with good selectivity. Within theses classes, we have discovered both agonists and antagonists that can be used for further understanding of the pharmacology of the 5-HT7 receptor.

  DOI：

  10.1021/jm0498102

文献信息

• Novel 2-Aminotetralin and 3-AminoChroman Derivatives as Selective Serotonin 5-HT₇ Receptor Agonists and Antagonists
  作者：Pär Holmberg、Daniel Sohn、Robert Leideborg、Patrizia Caldirola、Pavel Zlatoidsky、Sverker Hanson、Nina Mohell、Susanne Rosqvist、Gunnar Nordvall、Anette M. Johansson、Rolf Johansson

  DOI：10.1021/jm0498102

  日期：2004.7.1

  The understanding of the physiological role of the G-protein coupled serotonin 5-HT7 receptor is largely rudimentary. Therefore, selective and potent pharmacological tools will add to the understanding of serotonergic effects mediated through this receptor. In this report, we describe two compound classes, chromans and tetralins, encompassing compounds with nanomolar affinity for the 5-HT7 receptor and with good selectivity. Within theses classes, we have discovered both agonists and antagonists that can be used for further understanding of the pharmacology of the 5-HT7 receptor.