5-(3-bromophenyl)-(2H)-pyridazin-3-one | 660425-12-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-(3-bromophenyl)-(2H)-pyridazin-3-one
• 英文别名: 5-(3-bromophenyl)-2H-pyridazin-3-one；4-(3-bromophenyl)-1H-pyridazin-6-one
• CAS: 660425-12-7
• 化学式: C₁₀H₇BrN₂O
• 分子量: 251.082
• InChiKey: RWFHKTVNOPDPBF-UHFFFAOYSA-N

物化性质

• 密度：
  1.61±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(3-bromophenyl)-(2H)-pyridazin-3-one 在 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 N-[5-(3-bromophenyl)-pyridazin-3-yl]-N-isopropylamine
  参考文献：
  名称：

  A New Pyridazine Series of GABA_A α5 Ligands

  摘要：

  Screening of the Merck compound collection identified 6 as an unusually simple, low molecular weight hit with moderate affinity for GABA(A) receptors. The structural novelty of 6, compared to our advanced series of GABA(A) alpha 5 inverse agonists, made it an attractive molecule for further exploration. This paper will describe the evolution of 6 into a new series of ligands with nanomolar affinity and functional selectivity for GABA(A) alpha 5 receptor subtypes.

  DOI：

  10.1021/jm050249x
• 作为产物：
  描述：

  4-(3-bromophenyl)-5-hydroxy-5H-furan-2-one 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以53%的产率得到5-(3-bromophenyl)-(2H)-pyridazin-3-one
  参考文献：
  名称：

  A New Pyridazine Series of GABA_A α5 Ligands

  摘要：

  Screening of the Merck compound collection identified 6 as an unusually simple, low molecular weight hit with moderate affinity for GABA(A) receptors. The structural novelty of 6, compared to our advanced series of GABA(A) alpha 5 inverse agonists, made it an attractive molecule for further exploration. This paper will describe the evolution of 6 into a new series of ligands with nanomolar affinity and functional selectivity for GABA(A) alpha 5 receptor subtypes.

  DOI：

  10.1021/jm050249x

文献信息

• [EN] PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS<br/>[FR] DERIVES DE PHENYLPYRIDAZINE UTILISES EN TANT QUE LIGANDS POUR DES RECEPTEURS GABA
  申请人：MERCK SHARP & DOHME

  公开号：WO2004014865A1

  公开（公告）日：2004-02-19

  A class of 4-phenylpyridazine derivatives of Formula (I), being selective ligands for GABAA receptors, in particular having high affinity for the α2 and/or α3 and or α5 subunit thereof, are accordingly of benefit in the treatment and/or prevention of adverse conditions of the central nervous system, including anxiety, convulsions and cognitive disorders.

  Formula (I)的4-苯基吡啶并衍生物是GABAA受体的选择性配体，特别是对其α2和/或α3和/或α5亚基具有高亲和力，因此在治疗和/或预防中枢神经系统的不良状况，包括焦虑、抽搐和认知障碍方面具有益处。
• Phenylpyridazine derivatives as ligands for gaba receptors
  申请人：Blackaby Wesley

  公开号：US20060235021A1

  公开（公告）日：2006-10-19

  A class of 4-phenylpyridazine derivatives of Formula (I), being selective ligands for GABA A receptors, in particular having high affinity for the α2 and/or α3 and or α5 subunit thereof, are accordingly of benefit in the treatment and/or prevention of adverse conditions of the central nervous system, including anxiety, convulsions and cognitive disorders.

  一类4-苯基吡嗪衍生物(I式)，是选择性的GABAA受体配体，特别是具有高亲和力的α2和/或α3和/或α5亚单位，因此对于治疗和/或预防中枢神经系统的不良病症，包括焦虑，惊厥和认知障碍具有益处。
• PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP1532120A1

  公开（公告）日：2005-05-25