4-[3-Ethyl-2-(2-Thiazol-2-yl-Imidazol-1-Ylmethyl)-Imidazo[1,2-B]Pyridazin-6-Yloxy]-2-Methyl-Butan-2-ol | 488115-55-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[3-Ethyl-2-(2-Thiazol-2-yl-Imidazol-1-Ylmethyl)-Imidazo[1,2-B]Pyridazin-6-Yloxy]-2-Methyl-Butan-2-ol
• 英文别名: 4-[3-ethyl-2-[[2-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylbutan-2-ol
• CAS: 488115-55-5
• 化学式: C₂₀H₂₄N₆O₂S
• 分子量: 412.516
• InChiKey: YSUBZRSGLRJQMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  异戊二醇 、 potassium tert-butylate 、 6-chloro-3-ethyl-2-(2-thiazol-2-yl-imidazol-1-ylmethyl)-imidazo[1,2-b]pyridazine 在 氮气 、 氯化铵 、 二氯甲烷 、 Sodium sulfate-III 、 crude product 、 甲醇 作用下， 以 四氢呋喃 为溶剂， 反应 2.58h， 以to give 4-[3-ethyl-2-(2-thiazol-2-yl-imidazol-1-ylmethyl)-imidazo[1,2-b]pyridazin-6-yloxy]-2-methyl-butan-2-ol as an oil的产率得到4-[3-Ethyl-2-(2-Thiazol-2-yl-Imidazol-1-Ylmethyl)-Imidazo[1,2-B]Pyridazin-6-Yloxy]-2-Methyl-Butan-2-ol
  参考文献：
  名称：

  Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands

  摘要：

  该发明涉及杂环取代融合双环杂环化合物，例如杂环取代咪唑吡啶、咪唑吡嗪、咪唑吡咯、咪唑嘧啶和咪唑噻唑等，可由式I或式II描述：该发明特别涉及与GABAA受体的苯二氮平位点高度选择性和高亲和力结合的这种化合物。该发明还涉及包含这种化合物的药物组合物以及使用这种化合物治疗某些中枢神经系统（CNS）疾病的用途。公开了制备式I和式II化合物的方法。此外，该发明还涉及将苯并咪唑、吡啶基咪唑和相关的式I或式II双环杂环化合物与一个或多个其他CNS药剂联合使用以增强其他CNS药剂的效果。此外，该发明还涉及使用这些化合物作为探针来定位组织切片中的GABAA受体。

  公开号：

  US20060014746A1

文献信息

• Heteroaryl substituted fused bicyclic heteroaryl compound as GABAA receptor ligands
  申请人：——

  公开号：US20030207885A1

  公开（公告）日：2003-11-06

  This invention relates to heteroaryl substituted fused bicyclic heteroaryl compounds, such as heteroaryl substituted imidazopyridines, imidazopyrazines, imidazopyridizines, imidazopyrimidines, and imidazothiazoles, which may be described by Formula I or Formula II: 1 The invention is particularly related to such compounds that bind with high selectivity and high affinity to the benzodiazepine site of GABA A receptors. This invention also relates to pharmaceutical compositions comprising such compounds and to the use of such compounds in treatment of certain central nervous system (CNS) diseases. Processes for preparing compounds of Formula I and Formula II are disclosed. This invention also relates to the use of benzimidazoles, pyridylimidazoles and related bicyclic heteroaryl compounds of Formula I or Formula II in combination with one or more other CNS agents to potentiate the effects of the other CNS agents. Additionally this invention relates to the use such compounds as probes for the localization of GABA A receptors in tissue sections.

  本发明涉及杂环取代的融合双环杂环化合物，例如杂环取代的咪唑吡啶、咪唑吡嗪、咪唑吡二嗪、咪唑嘧啶和咪唑噻唑，可以用公式I或公式II描述：1本发明特别涉及与GABAA受体的苯二氮卓位点高选择性和高亲和力结合的这些化合物。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治疗某些中枢神经系统（CNS）疾病的用途。公开了制备公式I和公式II化合物的方法。本发明还涉及使用苯并咪唑、吡啶基咪唑和相关的公式I或公式II的双环杂环化合物与一个或多个其他CNS药物结合，以增强其他CNS药物的作用。此外，本发明还涉及使用这些化合物作为探针来定位组织切片中的GABAA受体。
• HETEROARYL SUBSTITUTED FUSED BICYCLIC HETEROARYL COMPOUNDS AS GABAA RECEPTOR LIGANDS
  申请人：NEUROGEN CORPORATION

  公开号：EP1406906A1

  公开（公告）日：2004-04-14
• US6936617B2
  申请人：——

  公开号：US6936617B2

  公开（公告）日：2005-08-30
• [EN] HETEROARYL SUBSTITUTED FUSED BICYCLIC HETEROARYL COMPOUNDS AS GABAA RECEPTOR LIGANDS<br/>[FR] COMPOSES HETEROARYLES BICYCLIQUES FONDUS A SUBSTITUTION HETEROARYLE UTILISES COMME LIGANDS DES RECEPTEURS GABAA
  申请人：NEUROGEN CORP

  公开号：WO2003006471A1

  公开（公告）日：2003-01-23

  This invention relates to heteroaryl substituted fused bicyclic heteroaryl compounds, such as heteroaryl substituted imidazopyridines, imidazopyrazines, imidazopyridizines, imidazopyrimidines, and imidazothiazoles, which may be described by Formula I or Formula II: The invention is particularly relates to such compounds that bind with high selectivity and high affinity to the benzodiazepine site of GABAA receptors. This invention also relates to pharmaceutical compositions comprising such compounds and to the use of such compounds in treatment of certain central nervous system (CNS) diseases. Processes for preparing compounds of Formula I and Formula II are disclosed. This invention also relates to the use of benzimidazoles, pyridylimidazoles and related bicyclic heteroaryl compounds of Formula I or Formula II in combination with one or more other CNS agents to potentiate the effects of the other CNS agents. Additionally this invention relates to the use such compounds as probes for the localization of GABAA receptors in tissue sections.
• Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands
  申请人：Hutchison Alan

  公开号：US20060014746A1

  公开（公告）日：2006-01-19

  This invention relates to heteroaryl substituted fused bicyclic heteroaryl compounds, such as heteroaryl substituted imidazopyridines, imidazopyrazines, imidazopyridizines, imidazopyrimidines, and imidazothiazoles, which may be described by Formula I or Formula II: The invention is particularly related to such compounds that bind with high selectivity and high affinity to the benzodiazepine site of GABA A receptors. This invention also relates to pharmaceutical compositions comprising such compounds and to the use of such compounds in treatment of certain central nervous system (CNS) diseases. Processes for preparing compounds of Formula I and Formula II are disclosed. This invention also relates to the use of benzimidazoles, pyridylimidazoles and related bicyclic heteroaryl compounds of Formula I or Formula II in combination with one or more other CNS agents to potentiate the effects of the other CNS agents. Additionally this invention relates to the use such compounds as probes for the localization of GABA A receptors in tissue sections.

  该发明涉及杂环取代融合双环杂环化合物，例如杂环取代咪唑吡啶、咪唑吡嗪、咪唑吡咯、咪唑嘧啶和咪唑噻唑等，可由式I或式II描述：该发明特别涉及与GABAA受体的苯二氮平位点高度选择性和高亲和力结合的这种化合物。该发明还涉及包含这种化合物的药物组合物以及使用这种化合物治疗某些中枢神经系统（CNS）疾病的用途。公开了制备式I和式II化合物的方法。此外，该发明还涉及将苯并咪唑、吡啶基咪唑和相关的式I或式II双环杂环化合物与一个或多个其他CNS药剂联合使用以增强其他CNS药剂的效果。此外，该发明还涉及使用这些化合物作为探针来定位组织切片中的GABAA受体。