6-benzoylhydrazino-3-chloro-4-phenylpyridazine | 869487-50-3

• 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: 6-benzoylhydrazino-3-chloro-4-phenylpyridazine
• CAS: 869487-50-3
• 化学式: C₁₇H₁₃ClN₄O
• 分子量: 324.769
• InChiKey: JUJLOFCYTNBVTL-UHFFFAOYSA-N

物化性质

• 沸点：
  503.6±50.0 °C(Predicted)
• 密度：
  1.348±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.55
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.91
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  6-benzoylhydrazino-3-chloro-4-phenylpyridazine 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 16.0h， 以0.33 g的产率得到3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine-6-ylchloride
  参考文献：
  名称：

  7-(1,1-Dimethylethyl)-6-(2-ethyl-2H-1,2,4- triazol-3-ylmethoxy)-3-(2-fluorophenyl)- 1,2,4-triazolo[4,3-b]pyridazine:  A Functionally Selective γ-Aminobutyric Acid_A (GABA_A) α2/α3-Subtype Selective Agonist That Exhibits Potent Anxiolytic Activity but Is Not Sedating in Animal Models

  摘要：

  There is increasing evidence that compounds with selectivity for gamma-aminobutyric acid(A) (GABA(A)) alpha 2- and/or alpha 3-subtypes may retain the desirable anxiolytic activity of nonselective benzodiazepines but possess an improved side effect profile. Herein we describe a novel series of GABA(A) alpha 2/alpha 3 subtype-selective agonists leading to the identification of the development candidate 17, a nonsedating anxiolytic in preclinical animal assays.

  DOI：

  10.1021/jm058034a
• 作为产物：
  描述：

  3,6-二氯-4-苯基-吡嗪 在 吡啶 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 32.0h， 生成 6-benzoylhydrazino-3-chloro-4-phenylpyridazine
  参考文献：
  名称：

  7-(1,1-Dimethylethyl)-6-(2-ethyl-2H-1,2,4- triazol-3-ylmethoxy)-3-(2-fluorophenyl)- 1,2,4-triazolo[4,3-b]pyridazine:  A Functionally Selective γ-Aminobutyric Acid_A (GABA_A) α2/α3-Subtype Selective Agonist That Exhibits Potent Anxiolytic Activity but Is Not Sedating in Animal Models

  摘要：

  There is increasing evidence that compounds with selectivity for gamma-aminobutyric acid(A) (GABA(A)) alpha 2- and/or alpha 3-subtypes may retain the desirable anxiolytic activity of nonselective benzodiazepines but possess an improved side effect profile. Herein we describe a novel series of GABA(A) alpha 2/alpha 3 subtype-selective agonists leading to the identification of the development candidate 17, a nonsedating anxiolytic in preclinical animal assays.

  DOI：

  10.1021/jm058034a