(2S)-N-{4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)-1H-benzotriazol-5-yl]benzyl}-2-hydroxypropanamide | 1408245-08-8

• 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: (2S)-N-{4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)-1H-benzotriazol-5-yl]benzyl}-2-hydroxypropanamide
• 英文别名: (2S)-N-[[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]methyl]-2-hydroxypropanamide
• CAS: 1408245-08-8
• 化学式: C₂₁H₂₁F₃N₄O₂
• 分子量: 418.419
• InChiKey: BQINSVHLUGYOAY-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  80
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)-1H-benzotriazole-5-yl]benzyl methanesulfonate 在 sodium azide 、 PyBop 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 3.75h， 生成 (2S)-N-{4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)-1H-benzotriazol-5-yl]benzyl}-2-hydroxypropanamide
  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

• 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。
• Aminomethyl biaryl benzotriazole derivatives
  申请人：Beshore Douglas C.

  公开号：US09139576B2

  公开（公告）日：2015-09-22

  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，其为代谢型谷氨酸受体（尤其是mGluR2受体）的增强剂，可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使用。
• AMINOMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2704573A1

  公开（公告）日：2014-03-12
• US9139576B2
  申请人：——

  公开号：US9139576B2

  公开（公告）日：2015-09-22
• [EN] AMINOMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS D'AMINOMÉTHYL-BIARYL-BENZOTRIAZOLE
  申请人：MERCK SHARP & DOHME

  公开号：WO2012151136A1

  公开（公告）日：2012-11-08

  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。