ethyl-2-amino-4-(2-furyl)-triazine-6-carboxylate | 1192345-21-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: ethyl-2-amino-4-(2-furyl)-triazine-6-carboxylate
• 英文别名: Ethyl 4-amino-6-(furan-2-yl)-1,3,5-triazine-2-carboxylate；ethyl 4-amino-6-(furan-2-yl)-1,3,5-triazine-2-carboxylate
• CAS: 1192345-21-3
• 化学式: C₁₀H₁₀N₄O₃
• 分子量: 234.214
• InChiKey: AVMXKIUFPVMWDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl-2-amino-4-(2-furyl)-triazine-6-carboxylate 、 3-甲基苄胺 以 乙醇 为溶剂， 以74%的产率得到N-(m-tolylmethyl)-2-amino-4-(2-furyl)-1,3,5-triazine-6-carboxamide
  参考文献：
  名称：

  Antagonists of the human A2A receptor. Part 6: Further optimization of pyrimidine-4-carboxamides

  摘要：

  Antagonists of the human A(2A) receptor have been reported to have potential therapeutic benefit in the alleviation of the symptoms associated with neurodegenerative movement disorders such as Parkinson's disease. As part of our efforts to discover potent and selective antagonists of this receptor, we herein describe the detailed optimization and structure-activity relationships of a series of pyrimidine-4-carboxamides. These optimized derivatives display desirable physiochemical and pharmacokinetic profiles, which have led to promising oral activity in clinically relevant models of Parkinson's disease. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.07.078
• 作为产物：
  描述：

  N-aminoiminomethylfuran-2-carboximidamide hydrochloride 、 草酸二乙酯 在 三乙胺 作用下， 反应 3.0h， 以75%的产率得到ethyl-2-amino-4-(2-furyl)-triazine-6-carboxylate
  参考文献：
  名称：

  Antagonists of the human A2A receptor. Part 6: Further optimization of pyrimidine-4-carboxamides

  摘要：

  Antagonists of the human A(2A) receptor have been reported to have potential therapeutic benefit in the alleviation of the symptoms associated with neurodegenerative movement disorders such as Parkinson's disease. As part of our efforts to discover potent and selective antagonists of this receptor, we herein describe the detailed optimization and structure-activity relationships of a series of pyrimidine-4-carboxamides. These optimized derivatives display desirable physiochemical and pharmacokinetic profiles, which have led to promising oral activity in clinically relevant models of Parkinson's disease. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.07.078

文献信息

• Antagonists of the human A2A receptor. Part 6: Further optimization of pyrimidine-4-carboxamides
  作者：Roger J. Gillespie、Samantha J. Bamford、Alex Clay、Suneel Gaur、Tim Haymes、Philip S. Jackson、Allan M. Jordan、Burkhard Klenke、Stefania Leonardi、Jeanette Liu、Howard L. Mansell、Sean Ng、Mona Saadi、Heather Simmonite、Gemma C. Stratton、Richard S. Todd、Douglas S. Williamson、Ian A. Yule

  DOI：10.1016/j.bmc.2009.07.078

  日期：2009.9

  Antagonists of the human A(2A) receptor have been reported to have potential therapeutic benefit in the alleviation of the symptoms associated with neurodegenerative movement disorders such as Parkinson's disease. As part of our efforts to discover potent and selective antagonists of this receptor, we herein describe the detailed optimization and structure-activity relationships of a series of pyrimidine-4-carboxamides. These optimized derivatives display desirable physiochemical and pharmacokinetic profiles, which have led to promising oral activity in clinically relevant models of Parkinson's disease. (C) 2009 Elsevier Ltd. All rights reserved.