6-Aminopyridazin-3-ol hydrochloride | 1607256-37-0

• 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-Aminopyridazin-3-ol hydrochloride
• 英文别名: 3-amino-1H-pyridazin-6-one;hydrochloride
• CAS: 1607256-37-0
• 化学式: C₄H₅N₃O*ClH
• mdl: MFCD26936247
• 分子量: 147.564
• InChiKey: BTFUJLRIPXNCNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.17
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.5
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-甲基苯甲酰甲醛水合物 、 6-Aminopyridazin-3-ol hydrochloride 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 17.0h， 生成
  参考文献：
  名称：

  Syntheses, pharmacological evaluation and molecular modelling of substituted 6-alkoxyimidazo[1,2-b]pyridazines as new ligands for the benzodiazepine receptor

  摘要：

  A series of 2,3-disubstituted-6-alkoxyimidazo[1,2-b] has been synthesized and evaluated for in vitro affinity for the benzodiazepine receptor (BZR). 3-(Benzamidomethyl or substituted benzamidomethyl)-6-methoxy-2-(3,4-methylenedioxyphenyl)imidazo[1,2-b]pyridazines were found to be the most potent BZR ligands (eg, 4a, IC50 7 nM; 4e, IC50 14 nM; 4v, IC50 8 nM). Imidazo[1,2-b]pyridazines unsubstituted in the 3-position, or containing builder alkoxy groups in the 6-position, were found to bind less strongly to the BZR. Selected compounds from the series were identified from in vitro GABA-shift experiments as BZR agonists. Molecular modelling has been employed to identify the common pharmacophoric points of lipophilic and hydrogen bonding, ligand-receptor interaction and areas of steric hindrance for these substituted imidazo[1,2-b]pyridazines at the BZR.

  DOI：

  10.1016/0223-5234(96)85873-9