2-((4-((1-methyl-1H-pyrazol-3-yl)amino)quinazolin-6-yl)oxy)nicotinaldehyde | 1192833-36-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-((4-((1-methyl-1H-pyrazol-3-yl)amino)quinazolin-6-yl)oxy)nicotinaldehyde
• CAS: 1192833-36-5
• 化学式: C₁₈H₁₄N₆O₂
• 分子量: 346.348
• InChiKey: BXRWHMYMDRBWCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.11
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  94.82
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2-((4-((1-methyl-1H-pyrazol-3-yl)amino)quinazolin-6-yl)oxy)nicotinaldehyde 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以55%的产率得到[2-({4-[(1-methyl-1H-pyrazol-3-yl)amino]quinazolin-6-yl}oxy)pyridin-3-yl]methanol
  参考文献：
  名称：

  Discovery and structure–activity relationships of a novel class of quinazoline glucokinase activators

  摘要：

  We describe design, syntheses and structure-activity relationships of a novel class of 4,6-disubstituted quinazoline glucokinase activators. Prototype quinazoline leads (4 and 5) were designed based on the X-ray analyses of the previous 2-aminobenzamide lead classes. Modifications of the quinazoline leads led to the identification of a potent GK activator (21d). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.064
• 作为产物：
  描述：

  6-hydroxy-4-(1-methylpyrazol-3-ylamino)quinazoline 、 2-氯-3-吡啶甲醛 在 potassium tert-butylate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 以45%的产率得到2-((4-((1-methyl-1H-pyrazol-3-yl)amino)quinazolin-6-yl)oxy)nicotinaldehyde
  参考文献：
  名称：

  Discovery and structure–activity relationships of a novel class of quinazoline glucokinase activators

  摘要：

  We describe design, syntheses and structure-activity relationships of a novel class of 4,6-disubstituted quinazoline glucokinase activators. Prototype quinazoline leads (4 and 5) were designed based on the X-ray analyses of the previous 2-aminobenzamide lead classes. Modifications of the quinazoline leads led to the identification of a potent GK activator (21d). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.064