N-(2-amino-6-furan-2-yl-5-nitro-pyrimidin-4-yl)-2-fluorobenzamide | 1164120-98-2

• 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-(2-amino-6-furan-2-yl-5-nitro-pyrimidin-4-yl)-2-fluorobenzamide
• 英文别名: N-[2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl]-2-fluorobenzamide
• CAS: 1164120-98-2
• 化学式: C₁₅H₁₀FN₅O₄
• 分子量: 343.274
• InChiKey: NMWQGSJOLWAPEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  140
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-(2-amino-6-furan-2-yl-5-nitro-pyrimidin-4-yl)-2-fluorobenzamide 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 3.0h， 以100%的产率得到
  参考文献：
  名称：

  Antagonists of the human A2A receptor. Part 5: Highly bio-available pyrimidine-4-carboxamides

  摘要：

  A novel series of antagonists of the human A(2A) receptor have been identified and have been shown to display good potency and high degrees of selectivity over other receptor sub-types. Displaying in vivo potency in commonly used disease models and high oral bio-availability, this class of compounds may serve as clinically useful treatments for the relief of the symptoms associated with Parkinson's disease. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.142
• 作为产物：
  描述：

  6-(2-furyl)-5-nitropyrimidine-2,4-diamine 、 邻氟苯甲酰氯 在 吡啶 作用下， 反应 16.0h， 生成 N-(2-amino-6-furan-2-yl-5-nitro-pyrimidin-4-yl)-2-fluorobenzamide
  参考文献：
  名称：

  Antagonists of the human A2A receptor. Part 5: Highly bio-available pyrimidine-4-carboxamides

  摘要：

  A novel series of antagonists of the human A(2A) receptor have been identified and have been shown to display good potency and high degrees of selectivity over other receptor sub-types. Displaying in vivo potency in commonly used disease models and high oral bio-availability, this class of compounds may serve as clinically useful treatments for the relief of the symptoms associated with Parkinson's disease. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.142

文献信息

• Antagonists of the human A2A receptor. Part 5: Highly bio-available pyrimidine-4-carboxamides
  作者：Roger J. Gillespie、Samantha J. Bamford、Suneel Gaur、Allan M. Jordan、Joanne Lerpiniere、Howard L. Mansell、Gemma C. Stratton

  DOI：10.1016/j.bmcl.2009.03.142

  日期：2009.5

  A novel series of antagonists of the human A(2A) receptor have been identified and have been shown to display good potency and high degrees of selectivity over other receptor sub-types. Displaying in vivo potency in commonly used disease models and high oral bio-availability, this class of compounds may serve as clinically useful treatments for the relief of the symptoms associated with Parkinson's disease. (C) 2009 Elsevier Ltd. All rights reserved.