[(3R)-3-(dipropylamino)-3,4-dihydro-2H-chromen-8-yl] trifluoromethanesulfonate | 735279-30-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: [(3R)-3-(dipropylamino)-3,4-dihydro-2H-chromen-8-yl] trifluoromethanesulfonate
• CAS: 735279-30-8
• 化学式: C₁₆H₂₂F₃NO₄S
• 分子量: 381.416
• InChiKey: MFPMWOKFHPJPOL-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  64.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2,6-二甲氧基苯硼酸 、 [(3R)-3-(dipropylamino)-3,4-dihydro-2H-chromen-8-yl] trifluoromethanesulfonate 在 barium dihydroxide 、 四(三苯基膦)钯 作用下， 以 乙二醇二甲醚 为溶剂， 反应 0.33h， 以65%的产率得到[(R)-8-(2,6-Dimethoxy-phenyl)-chroman-3-yl]-dipropyl-amine
  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：

  8-甲氧基-2H-苯并吡喃-3-甲腈 在 盐酸 、 sodium hydroxide 、 palladium on activated charcoal 、 三氟二甲基硫醚络合物 、 montmorillonite K-10 、 叠氮磷酸二苯酯 、 甲酸铵 、 sodium cyanoborohydride 、 potassium carbonate 、 溶剂黄146 、 三乙胺 、 potassium iodide 作用下， 生成 [(3R)-3-(dipropylamino)-3,4-dihydro-2H-chromen-8-yl] trifluoromethanesulfonate
  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.