3-(4-溴-苯基)-1,4,5,6-四氢-哒嗪 | 101871-42-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(4-溴-苯基)-1,4,5,6-四氢-哒嗪
• 英文名称: 3-(4-bromo-phenyl)-1,4,5,6-tetrahydro-pyridazine
• 英文别名: 3-<4-Brom-phenyl>-1,4,5,6-tetrahydropyridazin；3-(4-Bromophenyl)-1,4,5,6-tetrahydropyridazine
• CAS: 101871-42-5
• 化学式: C₁₀H₁₁BrN₂
• 分子量: 239.115
• InChiKey: LNFSEHLEXVMZFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-溴-苯基)-1,4,5,6-四氢-哒嗪 在 吡啶 作用下， 反应 1.0h， 生成 6-(4-bromophenyl)-2-[methoxy(phenyl)phosphoryl]-4,5-dihydro-3H-pyridazine
  参考文献：
  名称：

  γ-Aminobutyrate-A Receptor Modulation by 3-Aryl-1-(arylsulfonyl)- 1,4,5,6-tetrahydropyridazines

  摘要：

  A series of 3-aryl-1-(arylsulfonyl)-1,4,5,6-tetrahydropyridazine allosteric modulators of the GABA(A) receptor was synthesized, and biological activity was examined in vitro and in vivo. Beginning with 1a, stepwise modification of the substituents and conservation of the scaffold yielded a chemical series in which the modulatory activity was enhanced by the presence of GABA. The SAR suggests, but does not establish, that the compounds bind to the steroid binding site on the GABA(A) receptor. The GABA shift for each compound indicates that all compounds in this series are either agonists or partial agonists.

  DOI：

  10.1021/jm9805889
• 作为产物：
  描述：

  3-(4-溴苯甲酰)丙酸 在 lithium aluminium tetrahydride 、 肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 3-(4-溴-苯基)-1,4,5,6-四氢-哒嗪
  参考文献：
  名称：

  非甾体孕酮受体配体。1. 3-芳基-1-苯甲酰基-1,4,5,6-四氢哒嗪。

  摘要：

  DOI：

  10.1021/jm00025a003

文献信息

• Nonsteroidal progesterone receptor ligands. 1. 3-Aryl-1-benzoyl-1,4,5,6- tetrahydropyridazines.
  作者：Donald W. Combs、Kimberly Reese、Audrey Phillips

  DOI：10.1021/jm00025a003

  日期：1995.12
• γ-Aminobutyrate-A Receptor Modulation by 3-Aryl-1-(arylsulfonyl)- 1,4,5,6-tetrahydropyridazines
  作者：Philip J. Rybczynski、Donald W. Combs、Kimberly Jacobs、Richard P. Shank、Barry Dubinsky

  DOI：10.1021/jm9805889

  日期：1999.7.1

  A series of 3-aryl-1-(arylsulfonyl)-1,4,5,6-tetrahydropyridazine allosteric modulators of the GABA(A) receptor was synthesized, and biological activity was examined in vitro and in vivo. Beginning with 1a, stepwise modification of the substituents and conservation of the scaffold yielded a chemical series in which the modulatory activity was enhanced by the presence of GABA. The SAR suggests, but does not establish, that the compounds bind to the steroid binding site on the GABA(A) receptor. The GABA shift for each compound indicates that all compounds in this series are either agonists or partial agonists.