(S)-6-(7-cyano-2,3-dihydrobenzo[d]oxazolo[3,2-a]imidazol-2-yl)hexyl 4-methylbenzene-sulfonate | 1219813-94-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-6-(7-cyano-2,3-dihydrobenzo[d]oxazolo[3,2-a]imidazol-2-yl)hexyl 4-methylbenzene-sulfonate
• 英文别名: 6-[(2S)-6-cyano-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-yl]hexyl 4-methylbenzenesulfonate
• CAS: 1219813-94-1
• 化学式: C₂₃H₂₅N₃O₄S
• 分子量: 439.535
• InChiKey: BTSWIYHZXLNJDV-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-(7-cyano-2,3-dihydrobenzo[d]oxazolo[3,2-a]imidazol-2-yl)hexyl 4-methylbenzenesulfonate 在 Chiralcel OD 作用下， 以 hexanes 、 乙醇 为溶剂， 生成 (S)-6-(7-cyano-2,3-dihydrobenzo[d]oxazolo[3,2-a]imidazol-2-yl)hexyl 4-methylbenzene-sulfonate 、 (R)-6-(7-cyano-2,3-dihydrobenzo[d]oxazolo[3,2-a]imidazol-2-yl)hexyl 4-methylbenzene-sulfonate
  参考文献：
  名称：

  [EN] OXAZOLOBENZIMIDAZOLE DERIVATIVES
  [FR] DÉRIVÉS D'OXAZOLOBENZIMIDAZOLE

  摘要：

  本发明涉及噁唑苯并咪唑衍生物，它们是代谢型谷氨酸受体增强剂，特别是mGluR2受体，对于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代谢型谷氨酸受体参与的这些疾病中使用这些化合物和组合物的用途。

  公开号：

  WO2010036544A1

文献信息

• OXAZOLOBENZIMIDAZOLE DERIVATIVES
  申请人：Converso Antonella

  公开号：US20110178117A1

  公开（公告）日：2011-07-21

  The present invention is directed to oxazolobenzimidazole 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.

  本发明涉及噁唑苯并咪唑衍生物，其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。
• [EN] OXAZOLOBENZIMIDAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS D'OXAZOLOBENZIMIDAZOLE
  申请人：MERCK SHARP & DOHME

  公开号：WO2010036544A1

  公开（公告）日：2010-04-01

  The present invention is directed to oxazolobenzimidazole 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.

  本发明涉及噁唑苯并咪唑衍生物，它们是代谢型谷氨酸受体增强剂，特别是mGluR2受体，对于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代谢型谷氨酸受体参与的这些疾病中使用这些化合物和组合物的用途。