5-(4-methoxybenzyl)-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one | 1293398-22-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-(4-methoxybenzyl)-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
• 英文别名: 5-[(4-methoxyphenyl)methyl]-2H-pyrazolo[4,3-c]quinolin-3-one
• CAS: 1293398-22-7
• 化学式: C₁₈H₁₅N₃O₂
• 分子量: 305.336
• InChiKey: FGGPBXWWIPXYIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  53.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(4-甲氧基苄基)-4-氧代-1,4-二氢喹啉-3-羧酸乙酯 在 吡啶 、 tetraphosphorus decasulfide 、 肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 5-(4-methoxybenzyl)-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
  参考文献：
  名称：

  MK-7622: A First-in-Class M₁ Positive Allosteric Modulator Development Candidate

  摘要：

  Identification of ligands that selectively activate the M-1 muscarinic signaling pathway has been sought for decades to treat a range of neurological and cognitive disorders. Herein, we describe the optimization efforts focused on addressing key physicochemical and safety properties, ultimately leading to the clinical candidate MK-7622, a highly selective positive allosteric modulator of the M-1 muscarinic receptor that has entered Phase II studies in patients with Alzheimer's disease.

  DOI：

  10.1021/acsmedchemlett.8b00095

文献信息

• MK-7622: A First-in-Class M₁ Positive Allosteric Modulator Development Candidate
  作者：Douglas C. Beshore、Christina N. Di Marco、Ronald K. Chang、Thomas J. Greshock、Lei Ma、Marion Wittmann、Matthew A. Seager、Kenneth A. Koeplinger、Charles D. Thompson、Joy Fuerst、George D. Hartman、Mark T. Bilodeau、William J. Ray、Scott D. Kuduk

  DOI：10.1021/acsmedchemlett.8b00095

  日期：2018.7.12

  Identification of ligands that selectively activate the M-1 muscarinic signaling pathway has been sought for decades to treat a range of neurological and cognitive disorders. Herein, we describe the optimization efforts focused on addressing key physicochemical and safety properties, ultimately leading to the clinical candidate MK-7622, a highly selective positive allosteric modulator of the M-1 muscarinic receptor that has entered Phase II studies in patients with Alzheimer's disease.