6-(4-cyano-3-{1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2,2-dioxido-1,3-dihydro-2,1,3-benzothiadiazol-5-yl}phenoxy)pyridine-2-carbonitrile | 1333263-18-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-(4-cyano-3-{1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2,2-dioxido-1,3-dihydro-2,1,3-benzothiadiazol-5-yl}phenoxy)pyridine-2-carbonitrile
• 英文别名: 6-[4-cyano-3-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl]phenoxy]pyridine-2-carbonitrile
• CAS: 1333263-18-5
• 化学式: C₂₄H₁₇F₂N₅O₃S
• 分子量: 493.493
• InChiKey: GUIVAJLIFWBDTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-氯-4-羟基苯甲腈 在 palladium diacetate potassium phosphate 、 2-dicyclohexylphosphino-2′,6′-dimethoxybiphenyl 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 17.5h， 生成 6-(4-cyano-3-{1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2,2-dioxido-1,3-dihydro-2,1,3-benzothiadiazol-5-yl}phenoxy)pyridine-2-carbonitrile
  参考文献：
  名称：

  [EN] POSITIVE ALLOSTERIC MODULATORS OF MGLUR2
  [FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DE MGLUR2

  摘要：

  本发明涉及5-取代的1,3-二氢-2,1,3-苯并噻二唑-2,2-二氧化物和1,3-二氢[1,2,5]噻二唑并[3,4-b]吡啶-2,2-二氧化物衍生物，它们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相关的神经和精神疾病以及代谢型谷氨酸受体参与的疾病中非常有用。该发明还涉及含有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涉及代谢型谷氨酸受体的疾病中的用途。

  公开号：

  WO2011109277A1

文献信息

• POSITIVE ALLOSTERIC MODULATORS OF MGLUR2
  申请人：Layton Mark E.

  公开号：US20130158002A1

  公开（公告）日：2013-06-20

  The present invention is directed to 5-substituted 1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide and 1,3-dihydro[1,2,5]thiadiazolo[3,4-b]pyridine 2,2,-dioxide 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5-取代的1,3-二氢-2,1,3-苯并噻二唑2,2-二氧化物和1,3-二氢[1,2,5]噻二唑并[3,4-b]吡啶2,2-二氧化物衍生物，它们是代谢型谷氨酸受体的增强剂，特别是mGluR2受体，并且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在预防或治疗代谢型谷氨酸受体参与的疾病中使用这些化合物和组合物。
• Positive allosteric modulators of mGluR2
  申请人：Layton Mark E.

  公开号：US09108937B2

  公开（公告）日：2015-08-18

  The present invention is directed to 5-substituted 1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide and 1,3-dihydro[1,2,5]thiadiazolo[3,4-b]pyridine 2,2,-dioxide 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5-取代的1,3-二氢-2,1,3-苯并噻二唑2,2-二氧化物和1,3-二氢[1,2,5]噻二唑并[3,4-b]吡啶2,2-二氧化物衍生物，它们是代谢型谷氨酸受体（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。
• US9108937B2
  申请人：——

  公开号：US9108937B2

  公开（公告）日：2015-08-18
• [EN] POSITIVE ALLOSTERIC MODULATORS OF MGLUR2<br/>[FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DE MGLUR2
  申请人：MERCK SHARP & DOHME

  公开号：WO2011109277A1

  公开（公告）日：2011-09-09

  The present invention is directed to 5-substituted 1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide and 1,3-dihydro[1,2,5]thiadiazolo[3,4-b]pyridine 2,2,-dioxide 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5-取代的1,3-二氢-2,1,3-苯并噻二唑-2,2-二氧化物和1,3-二氢[1,2,5]噻二唑并[3,4-b]吡啶-2,2-二氧化物衍生物，它们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相关的神经和精神疾病以及代谢型谷氨酸受体参与的疾病中非常有用。该发明还涉及含有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涉及代谢型谷氨酸受体的疾病中的用途。