Methyl 2-[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanylacetate | 872889-89-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: Methyl 2-[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanylacetate
• CAS: 872889-89-9
• 化学式: C₁₁H₁₃N₃O₂S
• 分子量: 251.309
• InChiKey: VWXWXDVCQKJBTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  91.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 2-[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanylacetate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 甲基3-氨基-4-(二甲基氨基)噻吩并[2,3-b]吡啶-2-羧酸酯
  参考文献：
  名称：

  Fused tricyclic mGIuR1 antagonists as therapeutic agents

  摘要：

  在其许多实施例中，本发明提供了公式I的三环化合物（其中J1-J3、X、Z和R1、R3和R4如本文所定义）作为代谢型谷氨酸受体（mGluR）拮抗剂，特别作为选择性代谢型谷氨酸受体1拮抗剂，含有该化合物的药物组合物，以及使用该化合物和组合物治疗与代谢型谷氨酸受体（例如mGluR1）相关的疾病的方法，例如疼痛、偏头痛、焦虑、尿失禁和阿尔茨海默病等神经退行性疾病。

  公开号：

  US20070072864A1
• 作为产物：
  描述：

  巯基乙酸甲酯 、 2-氯-4-(二甲基氨基)烟腈 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 Methyl 2-[3-cyano-4-(dimethylamino)pyridin-2-yl]sulfanylacetate
  参考文献：
  名称：

  Fused tricyclic mGIuR1 antagonists as therapeutic agents

  摘要：

  在其许多实施例中，本发明提供了公式I的三环化合物（其中J1-J3、X、Z和R1、R3和R4如本文所定义）作为代谢型谷氨酸受体（mGluR）拮抗剂，特别作为选择性代谢型谷氨酸受体1拮抗剂，含有该化合物的药物组合物，以及使用该化合物和组合物治疗与代谢型谷氨酸受体（例如mGluR1）相关的疾病的方法，例如疼痛、偏头痛、焦虑、尿失禁和阿尔茨海默病等神经退行性疾病。

  公开号：

  US20070072864A1

文献信息

• mGluR1 antagonists as therapeutic agents
  申请人：Matasi J. Julius

  公开号：US20060009477A1

  公开（公告）日：2006-01-12

  In its many embodiments, the present invention provides tricyclic compounds of formula I (wherein J 1 -J 4 , X, and R 1 —R 5 are as defined herein) useful as metabotropic glutamate receptor (mGluR) antagonists, particularly as selective metabotropic glutamate receptor 1 antagonists, pharmaceutical compositions containing the compounds, and methods of treatment using the compounds and compositions to treat diseases associated with metabotropic glutamate receptor (e.g., mGluR1) such as, for example, pain, migraine, anxiety, urinary incontinence and neurodegenerative diseases such Alzheimer's disease.

  在其多种实施方式中，本发明提供了式I的三环化合物（其中J1-J4、X和R1—R5如本文所定义）作为代谢型谷氨酸受体（mGluR）拮抗剂，特别是作为选择性代谢型谷氨酸受体1拮抗剂，含有该化合物的药物组合物，以及使用该化合物和组合物治疗与代谢型谷氨酸受体（例如mGluR1）相关的疾病的方法，例如疼痛、偏头痛、焦虑、尿失禁和阿尔茨海默病等神经退行性疾病。
• Fused tricyclic mGluR1 antagonists as therapeutic agents
  申请人：Bennett E. Chad

  公开号：US20070072863A1

  公开（公告）日：2007-03-29

  In its many embodiments, the present invention provides tricyclic compounds of formula I (wherein J 1 -J 3 , X, Z, and R 1 -R 4 are as defined herein) useful as metabotropic glutamate receptor (mGluR) antagonists, particularly as selective metabotropic glutamate receptor 1 antagonists, pharmaceutical compositions containing the compounds, and methods of treatment using the compounds and compositions to treat diseases associated with metabotropic glutamate receptor (e.g., mGluR1) such as, for example, pain, migraine, anxiety, urinary incontinence and neurodegenerative diseases such Alzheimer's disease.

  在其多种实施方式中，本发明提供了公式I的三环化合物（其中J1-J3、X、Z和R1-R4如本文所定义），用作代谢型谷氨酸受体（mGluR）拮抗剂，特别是选择性代谢型谷氨酸受体1拮抗剂，包含该化合物的制药组合物以及使用该化合物和组合物治疗与代谢型谷氨酸受体（例如mGluR1）相关的疾病的方法，如疼痛、偏头痛、焦虑、尿失禁和神经退行性疾病，如阿尔茨海默病。
• mGluR1 Antagonists as therapeutic agents
  申请人：Matasi J. Julius

  公开号：US20060167029A1

  公开（公告）日：2006-07-27

  In its many embodiments, the present invention provides tricyclic compounds of formula I (wherein J 1 -J 4 , X, and R 1 -R 5 are as defined herein) useful as metabotropic glutamate receptor (mGluR) antagonists, particularly as selective metabotropic glutamate receptor 1 antagonists, pharmaceutical compositions containing the compounds, and methods of treatment using the compounds and compositions to treat diseases associated with metabotropic glutamate receptor (e.g., mGluR1) such as, for example, pain, migraine, anxiety, urinary incontinence and neurodegenerative diseases such Alzheimer's disease.

  在许多实施方案中，本发明提供了式 I 的三环化合物（其中 J 1 -J 4 、X 和 R 1 -R 5 如本文所定义）作为代谢型谷氨酸受体（mGluR）拮抗剂，特别是作为选择性代谢型谷氨酸受体 1 拮抗剂，含有这些化合物的药物组合物，以及使用这些化合物和组合物治疗与代谢型谷氨酸受体（如 mGluR1）相关疾病（如疼痛、偏头痛、焦虑、尿失禁和神经退行性疾病，如阿尔茨海默病）的方法。
• mGluR1 Antagonists as Therapeutic Agents
  申请人：Matasi Julius J.

  公开号：US20090082336A1

  公开（公告）日：2009-03-26

  In its many embodiments, the present invention provides tricyclic compounds of formula I (wherein J 1 -J 4 , X, and R 1 -R 5 are as defined herein) useful as metabotropic glutamate receptor (mGluR) antagonists, particularly as selective metabotropic glutamate receptor 1 antagonists, pharmaceutical compositions containing the compounds, and methods of treatment using the compounds and compositions to treat diseases associated with metabotropic glutamate receptor (e.g., mGluR1) such as, for example, pain, migraine, anxiety, urinary incontinence and neurodegenerative diseases such Alzheimer's disease.
• mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS
  申请人：Matasi Julius J.

  公开号：US20090192178A1

  公开（公告）日：2009-07-30

  In its many embodiments, the present invention provides tricyclic compounds of formula I (wherein J 1 -J 4 , X, and R 1 -R 5 are as defined herein) useful as metabotropic glutamate receptor (mGluR) antagonists, particularly as selective metabotropic glutamate receptor 1 antagonists, pharmaceutical compositions containing the compounds, and methods of treatment using the compounds and compositions to treat diseases associated with metabotropic glutamate receptor (e.g., mGluR1) such as, for example, pain, migraine, anxiety, urinary incontinence and neurodegenerative diseases such Alzheimer's disease.