4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)thiomorpholine | 1228244-03-8

• 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: 4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)thiomorpholine
• CAS: 1228244-03-8
• 化学式: C₁₇H₂₀N₄OS
• 分子量: 328.438
• InChiKey: GULHHUZPYXNGEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  79.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-甲基-4-甲氧基苯胺 在 ammonium hydroxide 、 乙醇 、 氯乙酸 、 potassium hydroxide 、 肼 、 三氯氧磷 作用下， 以 乙醇 、 1,2-二氯乙烷 为溶剂， 反应 5.0h， 生成 4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)thiomorpholine
  参考文献：
  名称：

  The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia

  摘要：

  High-throughput screening identified a series of pyrazoloquinolines as PDE10A inhibitors. The SAR development led to the discovery of compound 27 as a potent, selective, and orally active PDE10A inhibitor. Compound 27 inhibits MK-801 induced hyperactivity at 3 mg/kg with an ED50 of 4 mg/kg and displays a similar to 6-fold separation between the ED50 for inhibition of MK-801 induced hyperactivity and hypolocomotion in rats. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.127

文献信息

• The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia
  作者：Ginny D. Ho、Shu-Wei Yang、Jennifer Smotryski、Ana Bercovici、Terry Nechuta、Elizabeth M. Smith、William McElroy、Zheng Tan、Deen Tulshian、Brian McKittrick、William J. Greenlee、Alan Hruza、Li Xiao、Diane Rindgen、Deborra Mullins、Mario Guzzi、Xiaoping Zhang、Carina Bleickardt、Robert Hodgson

  DOI：10.1016/j.bmcl.2011.11.127

  日期：2012.1

  High-throughput screening identified a series of pyrazoloquinolines as PDE10A inhibitors. The SAR development led to the discovery of compound 27 as a potent, selective, and orally active PDE10A inhibitor. Compound 27 inhibits MK-801 induced hyperactivity at 3 mg/kg with an ED50 of 4 mg/kg and displays a similar to 6-fold separation between the ED50 for inhibition of MK-801 induced hyperactivity and hypolocomotion in rats. (C) 2011 Elsevier Ltd. All rights reserved.