2-methoxy-6-(3-methyl-1H-pyrazol-5-yl)aniline | 1263193-24-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-methoxy-6-(3-methyl-1H-pyrazol-5-yl)aniline
• 英文别名: 2-methoxy-6-(5-methyl-1H-pyrazol-3-yl)aniline
• CAS: 1263193-24-3
• 化学式: C₁₁H₁₃N₃O
• 分子量: 203.244
• InChiKey: OUSGYGNFJREFQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  63.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methoxy-6-(3-methyl-1H-pyrazol-5-yl)aniline 、 氯乙酰氯 在 potassium carbonate 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis and SAR study of new phenylimidazole-pyrazolo[1,5-c]quinazolines as potent phosphodiesterase 10A inhibitors

  摘要：

  A series of phenylimidazole-pyrazolo[1,5-c]quinazolines 1a-q was designed, synthesized and characterised as a novel class of potent phophodiesterase 10A (PDE10A) inhibitors. In this series, 2,9-dimethyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline (1q) showed the highest affinity for PDE10A enzyme (IC50 = 16 nM). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.10.038
• 作为产物：
  描述：

  4-羟基-8-甲氧基-2-甲基喹啉 在 盐酸肼 、 一水合肼 作用下， 以 乙二醇 为溶剂， 以47%的产率得到2-methoxy-6-(3-methyl-1H-pyrazol-5-yl)aniline
  参考文献：
  名称：

  Synthesis and SAR study of new phenylimidazole-pyrazolo[1,5-c]quinazolines as potent phosphodiesterase 10A inhibitors

  摘要：

  A series of phenylimidazole-pyrazolo[1,5-c]quinazolines 1a-q was designed, synthesized and characterised as a novel class of potent phophodiesterase 10A (PDE10A) inhibitors. In this series, 2,9-dimethyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline (1q) showed the highest affinity for PDE10A enzyme (IC50 = 16 nM). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.10.038

文献信息

• Synthesis and SAR study of new phenylimidazole-pyrazolo[1,5-c]quinazolines as potent phosphodiesterase 10A inhibitors
  作者：Battistina Asproni、Gabriele Murineddu、Amedeo Pau、Gérard A. Pinna、Morten Langgård、Claus Tornby Christoffersen、Jacob Nielsen、Jan Kehler

  DOI：10.1016/j.bmc.2010.10.038

  日期：2011.1

  A series of phenylimidazole-pyrazolo[1,5-c]quinazolines 1a-q was designed, synthesized and characterised as a novel class of potent phophodiesterase 10A (PDE10A) inhibitors. In this series, 2,9-dimethyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline (1q) showed the highest affinity for PDE10A enzyme (IC50 = 16 nM). (C) 2010 Elsevier Ltd. All rights reserved.