5-(3-cyanophenyl)-3-phenyl-pyridazine

• 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-cyanophenyl)-3-phenyl-pyridazine
• 英文别名: 3-(6-Phenyl-pyridazin-4-yl)-benzonitrile；3-(6-phenylpyridazin-4-yl)benzonitrile
• 化学式: C₁₇H₁₁N₃
• 分子量: 257.294
• InChiKey: YIPXEQDLFGBASS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-(tri-n-butylstannyl)-3-phenyl pyridazine 在 四(三苯基膦)钯 、 碘 、 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 生成 5-(3-cyanophenyl)-3-phenyl-pyridazine
  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
• A New Pyridazine Series of GABA_A α5 Ligands
  作者：Monique B. van Niel、Kevin Wilson、Charles H. Adkins、John R. Atack、José L. Castro、Dawn E. Clarke、Stephen Fletcher、Ute Gerhard、Mark M. Mackey、Sallie Malpas、Karen Maubach、Robert Newman、Desmond O'Connor、Gopalan V. Pillai、Peter B. Simpson、Steven R. Thomas、Angus M. MacLeod

  DOI：10.1021/jm050249x

  日期：2005.9.1

  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.