methyl pyridazine-3-carbimidate hydrochloride | 1154063-19-0

• 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: methyl pyridazine-3-carbimidate hydrochloride
• CAS: 1154063-19-0
• 化学式: C₆H₇N₃O*ClH
• 分子量: 173.602
• InChiKey: QUCYCHTUOGMUFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.87
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  58.86
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1,1-双(4-氟苯基)-1,2-乙二胺 、 methyl pyridazine-3-carbimidate hydrochloride 以 甲醇 为溶剂， 以32%的产率得到4,4-bis(4-fluorophenyl)-2-(3-pyridazinyl)-2-imidazoline
  参考文献：
  名称：

  Discovery of substituted 2,4,4-triarylimidazoline derivatives as potent and selective neuropeptide Y Y5 receptor antagonists

  摘要：

  Novel imidazoline derivatives were discovered to be potent neuropeptide Y Y5 receptor antagonists. High-throughput screening of Merck sample collections against the human Y5 receptor resulted in the identification of 2,4,4-triphenylimidazoline (1), which had an IC(50) of 54 nM. Subsequent optimization led to the identification of several potent derivatives. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.101
• 作为产物：
  描述：

  pyridazine-3-carboximidic acid methyl ester 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 methyl pyridazine-3-carbimidate hydrochloride
  参考文献：
  名称：

  Discovery of substituted 2,4,4-triarylimidazoline derivatives as potent and selective neuropeptide Y Y5 receptor antagonists

  摘要：

  Novel imidazoline derivatives were discovered to be potent neuropeptide Y Y5 receptor antagonists. High-throughput screening of Merck sample collections against the human Y5 receptor resulted in the identification of 2,4,4-triphenylimidazoline (1), which had an IC(50) of 54 nM. Subsequent optimization led to the identification of several potent derivatives. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.101