N-(3-cyano-4-(4-nitrophenyl)furan-2-yl)formimidamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(3-cyano-4-(4-nitrophenyl)furan-2-yl)formimidamide
• 英文别名: N'-[3-cyano-4-(4-nitrophenyl)furan-2-yl]methanimidamide
• 化学式: C₁₂H₈N₄O₃
• 分子量: 256.221
• InChiKey: KWQRWBIZYMHBOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(3-cyano-4-(4-nitrophenyl)furan-2-yl)formimidamide 在 铁粉 、 氯化铵 作用下， 以 乙醇 、 水 、 邻二氯苯 为溶剂， 反应 2.25h， 生成 5-(4-aminophenyl)furo[2,3-d]pyrimidin-4-amine
  参考文献：
  名称：

  Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis

  摘要：

  Potent inhibitors of RIP1 kinase from three distinct series, 1-aminoisoquinolines, pyrrolo[2,3-b]pyridines, and furo[2,3-d]pyrimidines, all of the type II class recognizing a DLG-out inactive conformation, were identified from screening of our in-house kinase focused sets. An exemplar from the furo[2,3-d]pyrimidine series showed a dose proportional response in protection from hypothermia in a mouse model of TNF alpha induced lethal shock.

  DOI：

  10.1021/ml400382p
• 作为产物：
  描述：

  2-羟基-1-(4-硝基苯基)-1-乙酮 在 ammonium sulfate 、 二乙胺 作用下， 以 甲醇 为溶剂， 反应 5.0h， 生成 N-(3-cyano-4-(4-nitrophenyl)furan-2-yl)formimidamide
  参考文献：
  名称：

  Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis

  摘要：

  Potent inhibitors of RIP1 kinase from three distinct series, 1-aminoisoquinolines, pyrrolo[2,3-b]pyridines, and furo[2,3-d]pyrimidines, all of the type II class recognizing a DLG-out inactive conformation, were identified from screening of our in-house kinase focused sets. An exemplar from the furo[2,3-d]pyrimidine series showed a dose proportional response in protection from hypothermia in a mouse model of TNF alpha induced lethal shock.

  DOI：

  10.1021/ml400382p

文献信息

• Kinase inhibitors
  申请人：——

  公开号：US20030225098A1

  公开（公告）日：2003-12-04

  The present application is directed to pyrazolopyrirnidine and furopyrimidine analogs of the formula (I) 1 wherein the substituents are as defined herein, which are useful as kinase inhibitors.

  本申请涉及式(I)的吡唑吡啶和呋喃嘧啶类似物，其中取代基如本文所定义，这些类似物可用作激酶抑制剂。
• US7829570B2
  申请人：——

  公开号：US7829570B2

  公开（公告）日：2010-11-09