4-chloro-1-(cyclopropylmethyl)-1H-benzotriazol-5-yl trifluoromethanesulfonate | 1257327-86-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 4-chloro-1-(cyclopropylmethyl)-1H-benzotriazol-5-yl trifluoromethanesulfonate
• 英文别名: [4-chloro-1-(cyclopropylmethyl)benzotriazol-5-yl] trifluoromethanesulfonate
• CAS: 1257327-86-8
• 化学式: C₁₁H₉ClF₃N₃O₃S
• 分子量: 355.725
• InChiKey: FZBVIYHVIVONEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  82.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-chloro-1-(cyclopropylmethyl)-1H-benzotriazol-5-yl trifluoromethanesulfonate 在 四(三苯基膦)钯 、 2,2,6,6-四甲基哌啶氧化物 potassium phosphate 、 溶剂黄146 、 iodobenzene diacetate 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 、 1,2-二氯乙烷 为溶剂， 反应 17.5h， 生成 ethyl N-{4-[4-chloro-1-(cyclopropylmethyl)-1H-benzotriazol-5-yl]benzyl}glycinate
  参考文献：
  名称：

  [EN] AMINOMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES
  [FR] DÉRIVÉS D'AMINOMÉTHYL-BIARYL-BENZOTRIAZOLE

  摘要：

  本发明涉及氨甲基联苯基苯并三唑衍生物，它们是代谢型谷氨酸受体的增强剂，特别是mGluR2受体，适用于治疗或预防与谷氨酸功能障碍相关的神经系统和精神疾病，以及代谢型谷氨酸受体参与的疾病。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预防或治疗代谢型谷氨酸受体参与的疾病中的用途。

  公开号：

  WO2012151136A1
• 作为产物：
  描述：

  2-硝基-4-甲氧基苯胺 在 3percent Pt/0.6percentVG/C, deGussa 磺酰氯 、 甲烷磺酸 、 氢气 、 三溴化硼 、 溶剂黄146 、 N,N-二异丙基乙胺 、 亚硝酸异戊酯 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 20.0 ℃ 、275.8 kPa 条件下， 反应 43.83h， 生成 4-chloro-1-(cyclopropylmethyl)-1H-benzotriazol-5-yl trifluoromethanesulfonate
  参考文献：
  名称：

  [EN] AMINOMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES
  [FR] DÉRIVÉS D'AMINOMÉTHYL-BIARYL-BENZOTRIAZOLE

  摘要：

  本发明涉及氨甲基联苯基苯并三唑衍生物，它们是代谢型谷氨酸受体的增强剂，特别是mGluR2受体，适用于治疗或预防与谷氨酸功能障碍相关的神经系统和精神疾病，以及代谢型谷氨酸受体参与的疾病。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预防或治疗代谢型谷氨酸受体参与的疾病中的用途。

  公开号：

  WO2012151136A1

文献信息

• [EN] BIARYL BENZOTRIAZOLE DERIVATIVES<br/>[FR] DERIVES DE BENZOTRIAZOLE BIARYLE
  申请人：MERCK SHARP & DOHME

  公开号：WO2010141360A1

  公开（公告）日：2010-12-09

  The present invention is directed to biaryl benzotriazole derivatives which are potentiators of metabotropic glutamate receptors, particularly the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及生物芳基苯并三唑衍生物，其是代谢型谷氨酸受体的增强剂，特别是mGluR2受体，并且在治疗或预防与谷氨酸功能障碍有关的神经和精神障碍以及代谢型谷氨酸受体参与的疾病方面有用。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗代谢型谷氨酸受体参与的疾病方面使用这些化合物和组合物。
• [EN] CYCLOHEXENE BENZOTRIAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE CYCLOHEXÈNE-BENZOTRIAZOLE
  申请人：MERCK SHARP & DOHME

  公开号：WO2012151138A1

  公开（公告）日：2012-11-08

  The present invention is directed to cyclohexene benzotriazole derivatives which are potentiators of metabotropic glutamate receptors, particularly the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及环己烯苯并三唑衍生物，这些衍生物是代谢型谷氨酸受体的增强剂，特别是mGluR2受体，可用于治疗或预防与谷氨酸功能障碍有关的神经和精神障碍，以及代谷氨酸受体参与的疾病。本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预防或治疗代谷氨酸受体参与的疾病中的用途。
• Alkyne benzotriazole derivatives
  申请人：Kuduk Scott D.

  公开号：US08772276B2

  公开（公告）日：2014-07-08

  The present invention is directed to alkyne benzotriazole derivatives which are potentiators of metabotropic glutamate receptors, particularly the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及炔基苯并三氮唑衍生物，其为代谢型谷氨酸受体的增效剂，特别是mGluR2受体，并且对于与谷氨酸功能紊乱相关的神经和精神障碍以及代谢型谷氨酸受体参与的疾病的治疗或预防有用。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗与代谢型谷氨酸受体有关的这些疾病中使用这些化合物和组合物。
• Cyclohexene benzotriazole derivatives
  申请人：Beshore Douglas C.

  公开号：US08785482B2

  公开（公告）日：2014-07-22

  The present invention is directed to cyclohexene benzotriazole derivatives which are potentiators of metabotropic glutamate receptors, particularly the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及环己烯苯并三唑衍生物，它们是代谢型谷氨酸受体的增强剂，特别是mGluR2受体，可用于治疗或预防与谷氨酸功能失调有关的神经和精神障碍以及代谢型谷氨酸受体参与的疾病。本发明还涉及包含这些化合物的制药组合物，以及使用这些化合物和组合物预防或治疗代谢型谷氨酸受体参与的这些疾病。
• AMINOMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES
  申请人：Beshore Douglas C.

  公开号：US20140066443A1

  公开（公告）日：2014-03-06

  The present invention is directed to aminomethyl biaryl benzotriazole derivatives which are potentiators of metabotropic glutamate receptors, particularly the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及氨甲基联苯苯并三唑衍生物，其是代谢型谷氨酸受体增强剂，特别是mGluR2受体，用于治疗或预防与谷氨酸功能障碍相关的神经和精神障碍以及代谢型谷氨酸受体参与的疾病。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗代谢型谷氨酸受体参与的疾病中的使用。