(+/-)-2-(tetrahydro-2H-pyran-3-yl)-5-{[4-(1H-1,2,3-triazol-1-yl)phenyl]methyl}-2,5-dihydro-3H-pyrazolo[4,3-c]cinnolin-3-one | 1240911-43-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (+/-)-2-(tetrahydro-2H-pyran-3-yl)-5-{[4-(1H-1,2,3-triazol-1-yl)phenyl]methyl}-2,5-dihydro-3H-pyrazolo[4,3-c]cinnolin-3-one
• 英文别名: 2-(oxan-3-yl)-5-[[4-(triazol-1-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
• CAS: 1240911-43-6
• 化学式: C₂₃H₂₁N₇O₂
• 分子量: 427.465
• InChiKey: HJTWRWGMSKKEQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  88.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1H-1,2,3-三氮唑 、 (+/-)-5-(4-iodobenzyl)-2-(tetrahydro-2H-pyran-3-yl)-2,5-dihydro-3H-pyrazolo[4,3-c]cinnolin-3-one 在 copper(l) iodide 、 (+/-)-trans-N,N'-dimethylcyclohexane-1,2-diamine potassium phosphate 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 5.0h， 生成 (+/-)-2-(tetrahydro-2H-pyran-3-yl)-5-{[4-(1H-1,2,3-triazol-1-yl)phenyl]methyl}-2,5-dihydro-3H-pyrazolo[4,3-c]cinnolin-3-one
  参考文献：
  名称：

  [EN] PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  [FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DU RÉCEPTEUR M1 DE TYPE PYRAZOLO[4,3-C]CINNOLIN-3-ONE

  摘要：

  本发明涉及式(I)的吡唑并[4,3-c]咖啉-3-酮化合物，这些化合物是M1受体阳性变构调节剂，并且在治疗M1受体参与的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍方面有用。该发明还涉及包含这些化合物的药物组合物，以及在治疗由M1受体介导的疾病中使用这些化合物和组合物。

  公开号：

  WO2010096338A1

文献信息

• PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Beshore Douglas C.

  公开号：US20110301167A1

  公开（公告）日：2011-12-08

  The present invention is directed to pyrazolo[4,3-c]cinnolin-3-one compounds of formula (I) which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及式(I)的吡唑并[4,3-c]茚啉-3-酮化合物，它们是M1受体正向变构调节剂，可用于治疗M1受体介导的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。本发明还涉及包含这些化合物的药物组合物，以及使用这些化合物和组合物治疗M1受体介导的疾病的方法。
• Pyrazolo [4,3-C] cinnolin-3-one M1 receptor positive allosteric modulators
  申请人：Beshore Douglas C.

  公开号：US08653079B2

  公开（公告）日：2014-02-18

  The present invention is directed to pyrazolo[4,3-c]cinnolin-3-one compounds of formula (I) which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及式(I)的吡唑并[4,3-c]茚啉-3-酮化合物，其为M1受体正向变构调节剂，并且在治疗M1受体参与的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍方面有用。本发明还涉及包含该化合物的制药组合物，以及在治疗M1受体介导的疾病中使用该化合物和组合物的方法。
• Pyrazolo [4,3-c] cinnolin-3-one M1 receptor positive allosteric modulators
  申请人：Beshore Douglas C.

  公开号：US08486946B2

  公开（公告）日：2013-07-16

  The present invention is directed to pyrazolo[4,3-c]cinnolin-3-one compounds of formula (I) which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及式(I)的吡唑并[4,3-c]茚啉-3-酮化合物，它们是M1受体正向变构调节剂，并且在治疗与M1受体有关的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍方面有用。本发明还涉及包含这些化合物的制药组合物以及在治疗M1受体介导的疾病方面使用这些化合物和组合物。
• PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Beshore Douglas C.

  公开号：US20130102599A1

  公开（公告）日：2013-04-25

  The present invention is directed to pyrazolo[4,3-c]cinnolin-3-one compounds of formula (I) which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及式(I)的吡唑并[4,3-c]茚啉-3-酮化合物，其为M1受体正向变构调节剂，可用于治疗M1受体参与的疾病，例如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。本发明还涉及包含该化合物的制药组合物，以及在治疗M1受体介导的疾病中使用该化合物和组合物的方法。
• PYRAZOLO [4,3-c]CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2398324B1

  公开（公告）日：2014-09-03