6-bromo-3-methylbenzo[d]isothiazole | 1517038-47-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 6-bromo-3-methylbenzo[d]isothiazole
• 英文别名: 6-Bromo-3-methyl-1,2-benzothiazole
• CAS: 1517038-47-9
• 化学式: C₈H₆BrNS
• 分子量: 228.112
• InChiKey: FFYLYYLLEGTSGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-bromo-3-methylbenzo[d]isothiazole 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 生成 6-Bromo-3-(bromomethyl)-1,2-benzothiazole
  参考文献：
  名称：

  一系列新型的6-（（（1 H-吡唑并[4,3 - b ]吡啶-3-基）氨基）-苯并[ d ]异噻唑-3-羧酰胺）的发现，构效关系及其生物学特性代谢型谷氨酸受体4（mGlu 4）的变构调节剂。

  摘要：

  这项工作描述了新型6-（1 H-吡唑并[4,3 - b ]吡啶-3-基）氨基-苯并[ d ]异噻唑-3-羧酰胺的发现和表征，其为mGlu 4 PAM。与先前发现的mGlu 4 PAM相比，该支架提供了改善的代谢清除率和CYP1A2谱。从这项工作中，鉴定出27o（VU6001376）是有效的（EC 50 = 50.1 nM，50.5％GluMax）和选择性mGlu 4 PAM，具有出色的大鼠DMPK谱（体内大鼠CL p = 3.1 mL / min / kg，t 1/2 = 445分钟，CYP1A2 IC 50 > 30μM）。复合27o 在帕金森氏病的啮齿动物临床前模型中，氟哌啶醇还有效逆转氟哌啶醇引起的僵直。

  DOI：

  10.1021/acs.jmedchem.8b00994
• 作为产物：
  描述：

  4-溴-2-氟苯甲醛 在 磺酰氯 、 potassium tert-butylate 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 26.5h， 生成 6-bromo-3-methylbenzo[d]isothiazole
  参考文献：
  名称：

  一系列新型的6-（（（1 H-吡唑并[4,3 - b ]吡啶-3-基）氨基）-苯并[ d ]异噻唑-3-羧酰胺）的发现，构效关系及其生物学特性代谢型谷氨酸受体4（mGlu 4）的变构调节剂。

  摘要：

  这项工作描述了新型6-（1 H-吡唑并[4,3 - b ]吡啶-3-基）氨基-苯并[ d ]异噻唑-3-羧酰胺的发现和表征，其为mGlu 4 PAM。与先前发现的mGlu 4 PAM相比，该支架提供了改善的代谢清除率和CYP1A2谱。从这项工作中，鉴定出27o（VU6001376）是有效的（EC 50 = 50.1 nM，50.5％GluMax）和选择性mGlu 4 PAM，具有出色的大鼠DMPK谱（体内大鼠CL p = 3.1 mL / min / kg，t 1/2 = 445分钟，CYP1A2 IC 50 > 30μM）。复合27o 在帕金森氏病的啮齿动物临床前模型中，氟哌啶醇还有效逆转氟哌啶醇引起的僵直。

  DOI：

  10.1021/acs.jmedchem.8b00994

文献信息

• PYRAZOLOPYRIDINE DERIVATIVE HAVING GLP-1 RECEPTOR AGONIST EFFECT
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US20190225604A1

  公开（公告）日：2019-07-25

  The present invention provides a compound having the basic structure shown by Formula (I) in which the indole ring and the pyrazolopyridine structure is bound through a substituent, a salt thereof or a solvate of either the compound or a salt of the compound, as well as a preventative agent or a therapeutic agent for non-insulin-dependent diabetes mellitus (Type 2 diabetes) or obesity containing such compound, salt or solvate as an active ingredient.

  本发明提供一种化合物，其具有通过取代基连接的式（I）所示的基本结构，其中吲哚环和吡唑吡啶结构通过取代基相连，以及包含该化合物、盐或该化合物的盐的溶剂的预防剂或治疗剂，用作非胰岛素依赖型糖尿病（2型糖尿病）或肥胖症的活性成分。
• [EN] AMINOISOXAZOLINE COMPOUNDS AS AGONISTS OF ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTORS<br/>[FR] COMPOSÉS D'AMINOISOXAZOLINE EN TANT QUE RÉCEPTEURS NICOTINIQUES ALPHA7 DE L'ACÉTYLCHOLINE
  申请人：FORUM PHARMACEUTICALS INC

  公开号：WO2017069980A1

  公开（公告）日：2017-04-27

  The present invention relates to novel aminoisoxazoline compounds, and pharmaceutical compositions of the same, that are suitable as agonists or partial agonists of α7-nAChR, and methods of preparing these compounds and compositions, and the use of these compounds and compositions in methods of maintaining, treating and/or improving cognitive function. In particular, methods of administering the compound or composition to a patient in need thereof, for example a patient with a cognitive deficiency and/or a desire to enhance cognitive function, that may derive a benefit therefrom.

  本发明涉及新型氨基异噁唑啉化合物及其药物组合物，适用作α7-nAChR的激动剂或部分激动剂，以及制备这些化合物和组合物的方法，以及在维持、治疗和/或改善认知功能的方法中使用这些化合物和组合物，特别是将该化合物或组合物用于需要的患者的给药方法，例如患有认知缺陷和/或希望增强认知功能的患者，可能从中获益。
• Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands
  申请人：Hendrix James A.

  公开号：US20090247509A1

  公开（公告）日：2009-10-01

  The invention relates to heterocyclic substituted carbonyl derivatives that display selective binding to dopamine D 3 receptors. In another aspect, the invention relates to a method for treating central nervous system disorders associated with the dopamine D 3 receptor activity in a patient in need of such treatment comprising administering to the subject a therapeutically effective amount of said compounds for alleviation of such disorder. The central nervous system disorders that may be treated with these compounds include Psychotic Disorders, Substance Dependence, Substance Abuse, Dyskinetic Disorders (e.g. Parkinson's Disease, Parkinsonism, Neuroleptic-Induced Tardive Dyskinesia, Gilles de la Tourette Syndrome and Huntington's Disease), Dementia, Anxiety Disorders, Sleep Disorders, Circadian Rhythm Disorders and Mood Disorders. The subject invention is also directed towards processes for the preparation of the compounds described herein as well as methods for making and using the compounds as imaging agents for dopamine D 3 receptors.

  本发明涉及杂环取代羰基衍生物，其表现出对多巴胺D3受体的选择性结合。另一方面，本发明涉及一种治疗与多巴胺D3受体活性相关的中枢神经系统疾病的方法，该方法包括向需要此类治疗的患者施用所述化合物的治疗有效量，以缓解此类疾病。这些化合物可以治疗的中枢神经系统疾病包括精神疾病、物质依赖、物质滥用、运动障碍（例如帕金森病、帕金森综合症、神经阻滞引起的迟发性运动障碍、吉尔斯-德-拉-图雷综合症和亨廷顿病）、痴呆、焦虑症、睡眠障碍、昼夜节律紊乱和情绪障碍。本发明还涉及制备所述化合物的方法以及将所述化合物作为多巴胺D3受体成像剂的制备和使用方法。
• Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands
  申请人：Hendrix A. James

  公开号：US20070161641A1

  公开（公告）日：2007-07-12

  The invention relates to heterocyclic substituted carbonyl derivatives that display selective binding to dopamine D 3 receptors. In another aspect, the invention relates is to a method for treating central nervous system disorders associated with the dopamine D 3 receptor activity in a patient in need of such treatment comprising administering to the subject a therapeutically effective amount of said compounds for alleviation of such disorder. The central nervous system disorders that may be treated with these compounds include Psychotic Disorders, Substance Dependence, Substance Abuse, Dyskinetic Disorders (e.g. Parkinson's Disease, Parkinsonism, Neuroleptic-Induced Tardive Dyskinesia, Gilles de la Tourette Syndrome and Huntington's Disease), Dementia, Anxiety Disorders, Sleep Disorders, Circadian Rhythm Disorders and Mood Disorders. The subject invention is also directed towards processes for the preparation of the compounds described herein as well as methods for making and using the compounds as imaging agents for dopamine D 3 receptors.

  本发明涉及杂环取代羰基衍生物，其具有选择性地与多巴胺D3受体结合。另一方面，本发明涉及一种治疗中枢神经系统疾病的方法，该疾病与多巴胺D3受体活性有关，包括对患者进行治疗，向患者施用所述化合物的治疗有效量，以缓解此类疾病。这些化合物可以治疗的中枢神经系统疾病包括精神病性障碍、物质依赖、物质滥用、运动障碍（例如帕金森病、帕金森综合症、神经阻滞剂引起的迟发性运动障碍、吉尔·德·拉·图雷特综合症和亨廷顿病）、痴呆、焦虑症、睡眠障碍、昼夜节律紊乱和情绪障碍。本发明还涉及所述化合物的制备过程，以及将所述化合物作为多巴胺D3受体成像剂的制备和使用方法。
• Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands
  申请人：Aventis Pharmaceuticals Inc.

  公开号：EP1935887A1

  公开（公告）日：2008-06-25

  The invention relates to heterocyclic substituted carbonyl derivatives of the formula I that display selective binding to dopamine D3 receptors and are useful for treating central nervous system disorders associated with the dopamine D3 receptor activity in a patient in need of such treatment comprising administering to the subject a therapeutically effective amount of said compounds for alleviation of such disorder. The central nervous system disorders that may be treated with these compounds include Psychotic Disorders, Substance Dependence, Substance Abuse, Dyskinetic Disorders (e.g. Parkinson's Disease, Parkinsonism, Neuroleptic-Induced Tardive Dyskinesia, Gilles de la Tourette Syndrome and Huntington's Disease), Dementia, Anxiety Disorders, Sleep Disorders, Circadian Rhythm Disorders and Mood Disorders. The subject invention is also directed towards processes for the preparation of the compounds described herein as well as methods for making and using the compounds as imaging agents for dopamine D3 receptors.

  本发明涉及式 I 的杂环取代的羰基衍生物 本发明涉及式 I 的杂环取代羰基衍生物，该衍生物与多巴胺 D3 受体具有选择性结合，可用于治疗需要此类治疗的患者中与多巴胺 D3 受体活性相关的中枢神经系统紊乱，包括向受试者施用治疗有效量的所述化合物以缓解此类紊乱。可用这些化合物治疗的中枢神经系统疾病包括精神障碍、药物依赖、药物滥用、运动障碍（如帕金森病、帕金森氏症、神经抑制剂诱发的迟发性运动障碍、吉勒-德拉图雷特综合征和亨廷顿氏病）、痴呆、焦虑症、睡眠障碍、昼夜节律紊乱和情绪障碍。本发明还涉及本文所述化合物的制备过程以及将这些化合物用作多巴胺 D3 受体成像剂的制备和使用方法。