| 1357019-41-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1357019-41-0
• 化学式: C₂₁H₃₁NO₄
• 分子量: 361.481
• InChiKey: BXWUGPZIPSYHBN-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.71
• 重原子数：
  26.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  55.84
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 肼 作用下， 以 异丙醇 为溶剂， 以84%的产率得到5,5-dimethyl-6-{4-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-4,5-dihydro-2H-pyridazin-3-one
  参考文献：
  名称：

  4,5-Dihydropyridazin-3-one derivatives as histamine H3 receptor inverse agonists

  摘要：

  H3R structure-activity relationships for a new class of 4,5-dihydropyridazin-3-one H3R antagonists/inverse agonists are disclosed. Modification of the 4,5-dihydropyridazinone moiety to block in vivo metabolism identified 4,4-dimethyl-6-{4-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-4,5-dihydro-2H-pyridazin-3-one 22 as a lead candidate demonstrating potent in vivo functional H3R antagonism in the rat dipsogenia model and robust wake promoting activity in the rat EEG/EMG model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.037
• 作为产物：
  描述：

  Methyl 4-[4-(benzyloxy)phenyl]-3,3-dimethyl-4-oxobutanoate 在 盐酸 、 palladium 10% on activated carbon 、 potassium carbonate 、 potassium iodide 作用下， 以 甲醇 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  4,5-Dihydropyridazin-3-one derivatives as histamine H3 receptor inverse agonists

  摘要：

  H3R structure-activity relationships for a new class of 4,5-dihydropyridazin-3-one H3R antagonists/inverse agonists are disclosed. Modification of the 4,5-dihydropyridazinone moiety to block in vivo metabolism identified 4,4-dimethyl-6-{4-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-4,5-dihydro-2H-pyridazin-3-one 22 as a lead candidate demonstrating potent in vivo functional H3R antagonism in the rat dipsogenia model and robust wake promoting activity in the rat EEG/EMG model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.037