1-amino-4-bromo-N-((3R,4S)-3-hydroxytetrahydro-2H-pyran-4-yl)-2-naphthamide | 1268515-67-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-amino-4-bromo-N-((3R,4S)-3-hydroxytetrahydro-2H-pyran-4-yl)-2-naphthamide
• 英文别名: 1-amino-4-bromo-N-[(3R,4S)-3-hydroxytetrahydro-2H-pyran-4-yl]-2-naphthamide；1-amino-4-bromo-N-[(3R,4S)-3-hydroxyoxan-4-yl]naphthalene-2-carboxamide
• CAS: 1268515-67-8
• 化学式: C₁₆H₁₇BrN₂O₃
• 分子量: 365.227
• InChiKey: UIMUVZILIUNALI-KBPBESRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  84.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-amino-4-bromo-N-((3R,4S)-3-hydroxytetrahydro-2H-pyran-4-yl)-2-naphthamide 在 二(三叔丁基膦)钯 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 6-((6-chloropyridin-3-yl)methyl)-3-((3R,4S)-3-hydroxytetrahydro-2H-pyran-4-yl)benzo[h]quinazolin-4(3H)-one
  参考文献：
  名称：

  [EN] PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  [FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DE RÉCEPTEUR M1 DE TYPE PYRANYL-ARYL-MÉTHYL-BENZOQUINAZOLINONE

  摘要：

  本发明涉及式（I）的吡喃基芳基甲基苯并喹唑啉酮化合物，这些化合物是M1受体阳性变构调节剂，可用于治疗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。该发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在治疗由M1受体介导的疾病中的用途。

  公开号：

  WO2011025851A1
• 作为产物：
  描述：

  2-<β-trans-(N,N-dimethylamino)ethenyl>-1-nitronaphthalene 在 palladium on activated charcoal 盐酸 、 potassium permanganate 、 水 、 氢气 、 溴 、 potassium carbonate 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 四氯化碳 、 水 、 乙腈 、 叔丁醇 为溶剂， 90.0 ℃ 、101.33 kPa 条件下， 反应 53.5h， 生成 1-amino-4-bromo-N-((3R,4S)-3-hydroxytetrahydro-2H-pyran-4-yl)-2-naphthamide
  参考文献：
  名称：

  [EN] PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  [FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DE RÉCEPTEUR M1 DE TYPE PYRANYL-ARYL-MÉTHYL-BENZOQUINAZOLINONE

  摘要：

  本发明涉及式（I）的吡喃基芳基甲基苯并喹唑啉酮化合物，这些化合物是M1受体阳性变构调节剂，可用于治疗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。该发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在治疗由M1受体介导的疾病中的用途。

  公开号：

  WO2011025851A1

文献信息

• [EN] PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS<br/>[FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DE RÉCEPTEUR M1 DE TYPE PYRANYL-ARYL-MÉTHYL-BENZOQUINAZOLINONE
  申请人：MERCK SHARP & DOHME

  公开号：WO2011025851A1

  公开（公告）日：2011-03-03

  The present invention is directed to pyranyl aryl methyl benzoquinazolinone 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）的吡喃基芳基甲基苯并喹唑啉酮化合物，这些化合物是M1受体阳性变构调节剂，可用于治疗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。该发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在治疗由M1受体介导的疾病中的用途。
• PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Kuduk Scott D.

  公开号：US20120157438A1

  公开（公告）日：2012-06-21

  The present invention is directed to pyranyl aryl methyl benzoquinazolinone 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)的吡喃基苯基甲基苯并喹唑酮化合物，它们是M1受体正向变构调节剂，可用于治疗M1受体参与的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。该发明还涉及包括该化合物的制药组合物，以及使用该化合物和组合物治疗M1受体介导的疾病。
• DIHYDROBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Kuduk Scott D.

  公开号：US20130184298A1

  公开（公告）日：2013-07-18

  The present invention is directed to dihydrobenzoquinazilinone 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）的二氢苯并喹唑酮化合物，它们是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。本发明还涉及包括该化合物的制药组合物，以及使用该化合物和组合物治疗通过M1受体介导的疾病。
• N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Kuduk Scott D.

  公开号：US20150065498A1

  公开（公告）日：2015-03-05

  The present invention is directed to N-linked lactam compounds of general 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.

  本发明涉及一般式（I）的N-连接内酰胺化合物，它们是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。本发明还涉及包含这些化合物的药物组合物，以及在治疗M1受体介导的疾病中使用这些化合物和组合物的方法。
• Pyranyl aryl methyl benzoquinolinone M1 receptor positive allosteric modulators
  申请人：Merck Sharp & Dohme Corp.

  公开号：US09260418B2

  公开（公告）日：2016-02-16

  The present invention is directed to pyranyl aryl methyl benzoquinazolinone 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)的吡喃基芳基甲基苯并喹唑啉酮化合物，它们是M1受体正向变构调节剂，可用于治疗与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。本发明还涉及包括该化合物的制药组合物，以及在治疗由M1受体介导的疾病中使用该化合物和组合物的方法。