2-丁基-3-氨基吡嗪 | 91678-85-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-丁基-3-氨基吡嗪
• 英文名称: 2-amino-3-butylpyrazine
• 英文别名: 3-Butylpyrazin-2-amine
• CAS: 91678-85-2
• 化学式: C₈H₁₃N₃
• 分子量: 151.211
• InChiKey: KGFKAUJGEFCTQE-UHFFFAOYSA-N

物化性质

• 沸点：
  278.9±35.0 °C(Predicted)
• 密度：
  1.050±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-bromo-2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone 、 2-丁基-3-氨基吡嗪 以 N,N-二甲基甲酰胺 为溶剂， 生成 8-Butyl-3-(4-fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-imidazo[1,2-a]pyrazine
  参考文献：
  名称：

  Synthesis and SAR of a New Series of COX-2-Selective Inhibitors:  Pyrazolo[1,5-a]pyrimidines

  摘要：

  The synthesis and pharmacological activity of a series of bicyclic pyrazolo[1,5-a]pyrimidines as potent and selective cyclooxygenase-2 (COX-2) inhibitors are described. The new compounds were evaluated both in vitro (COX-1 and COX-2 inhibition in human whole blood) and in vive (carrageenan-induced paw edema and air-pouch model). Modification of the pyrimidine substituents showed that 6,7-disubstitution provided the best activity and led to the identification of 3-(4-fluorophenyl)-6,7-dimethyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine (10f) as one of the most potent and selective COX-2 inhibitor in this series.

  DOI：

  10.1021/jm0009383

文献信息

• HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS
  申请人：Morriello Gregori J.

  公开号：US20100069347A1

  公开（公告）日：2010-03-18

  This invention provides cholesterol absorption inhibitors of Formula I: and the pharmaceutically acceptable salts thereof, wherein R 12 is a hydroxylated alkyl group and R 9 contains a heterocyclic ring. The compounds are useful for lowering plasma cholesterol levels, particularly LDL cholesterol, and for treating atherosclerosis and preventing atherosclerotic disease events.

  本发明提供了I式胆固醇吸收抑制剂及其药学上可接受的盐，其中R12是一个羟基化的烷基基团，而R9包含一个杂环环。这些化合物对降低血浆胆固醇水平，特别是低密度脂蛋白胆固醇，以及治疗动脉粥样硬化和预防动脉粥样硬化疾病事件具有用处。
• Heterocyclo inhibitors of potassium channel function
  申请人：Bristol-Myers Squibb Company

  公开号：EP2228065A2

  公开（公告）日：2010-09-15

  Novel heterocyclo compounds of formulae (i), (ii) and (iii) useful as inhibitors of potassium channel function (especially inhibitors of the Kv1 subfamily of voltage gated K+ channels, especially inhibitors Kv1.5 which has been linked to the ultra-rapidly activating delayed rectifier K+ current IKur), methods of using such compounds in the prevention and treatment of arrhythmia and IKur-associated conditions, and pharmaceutical compositions containing such compounds.

  式(i)、(ii)和(iii)的新型杂环化合物，可用作钾通道功能抑制剂（特别是电压门控K+通道Kv1亚族的抑制剂，尤其是与超快速活化延迟整流K+电流IKur有关的Kv1.5抑制剂），使用此类化合物预防和治疗心律失常和IKur相关疾病的方法，以及含有此类化合物的药物组合物。
• Verfahren zur Herstellung von 2-Halogen- und 2-Cyanpyrazinen
  申请人：BASF Aktiengesellschaft

  公开号：EP0111160B1

  公开（公告）日：1986-10-22
• Synthesis and SAR of a New Series of COX-2-Selective Inhibitors:  Pyrazolo[1,5-<i>a</i>]pyrimidines
  作者：Carmen Almansa、Alberto F. de Arriba、Fernando L. Cavalcanti、Luis A. Gómez、Agustí Miralles、Manuel Merlos、Julián García-Rafanell、Javier Forn

  DOI：10.1021/jm0009383

  日期：2001.2.1

  The synthesis and pharmacological activity of a series of bicyclic pyrazolo[1,5-a]pyrimidines as potent and selective cyclooxygenase-2 (COX-2) inhibitors are described. The new compounds were evaluated both in vitro (COX-1 and COX-2 inhibition in human whole blood) and in vive (carrageenan-induced paw edema and air-pouch model). Modification of the pyrimidine substituents showed that 6,7-disubstitution provided the best activity and led to the identification of 3-(4-fluorophenyl)-6,7-dimethyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine (10f) as one of the most potent and selective COX-2 inhibitor in this series.