2-amino-N-(3-pyridyl)methyl-6-(2-furyl)pyrimidine-4-carboxamide | 863546-47-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-amino-N-(3-pyridyl)methyl-6-(2-furyl)pyrimidine-4-carboxamide
• 英文别名: 2-amino-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
• CAS: 863546-47-8
• 化学式: C₁₅H₁₃N₅O₂
• 分子量: 295.301
• InChiKey: IYBSZQMNYVYEJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氨甲基吡啶 、 2-amino-6-(2-furyl)pyrimidine-4-carboxylic acid 在 polymer supported carbodiimide 、 1-羟基苯并三唑一水物 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以35%的产率得到2-amino-N-(3-pyridyl)methyl-6-(2-furyl)pyrimidine-4-carboxamide
  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

• Pyrimidine Compounds as Purine Receptor Antagonist
  申请人：Gillespie Roger John

  公开号：US20080182860A1

  公开（公告）日：2008-07-31

  Compounds of formula (1); wherein R 1 is optionally substituted C 1 -C 3 alkyl C 2 -C 3 alkenyl, or C 2 -C 3 alkynyl, or —NR 6 R 1 , —ORB, —SR 9 or halogen; R 3 is II; optionally substituted C,-Csalkyl, C 2 -C 6 alkenyl, C 2 C 6 alkynyl, or C 3 -C 7 cycloalkyl, halogen; OH or OR 10 ; R 4 is H, optionally substituted C 1 C 6 alkyl, C 3 -C 6 alkenyl, C 3 -C 6 alkynyl, C 3 -C 7 cycloalkyl, aryl or heteroaryl, R 5 is H or Optionally substituted C 1 -C 6 alkyl, C 3 -C 6 alkenyl, C 3 -C 6 alkynyl, or C 3 -C 7 cycloalkyl; or R 4 and R 5 together form a 5 or 6-membered heterocyclic ring; and R 7 , R 8 , R 9 and R 10 are optionally substituted C 1 -C 3 alkyl, C 2 -C 3 alkenyl, C 2 -C 3 alkynyl, or C 3 -C 7 cycloalkyl; are purine receptor, particularly adenosine receptor antagonists, useful for treatment of, inter alia, movement disorders such as Parkinsons disease.

  化合物的式子为（1）; 其中R1为可选择取代的C1-C3烷基，C2-C3烯基或C2-C3炔基，或—NR6R1，—ORB，—SR9或卤素; R3为II; 可选择取代的C,-Cs烷基，C2-C6烯基，C2C6炔基或C3-C7环烷基，卤素; OH或OR10; R4为H，可选择取代的C1C6烷基，C3-C6烯基，C3-C6炔基，C3-C7环烷基，芳基或杂环芳基，R5为H或可选择取代的C1-C6烷基，C3-C6烯基，C3-C6炔基或C3-C7环烷基; 或R4和R5一起形成5或6元杂环环; 而R7，R8，R9和R10可选择取代的C1-C3烷基，C2-C3烯基，C2-C3炔基或C3-C7环烷基; 是嘌呤受体，特别是腺苷受体拮抗剂，用于治疗运动障碍，如帕金森病等。
• PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONISTS
  申请人：VERNALIS (R&D) LTD

  公开号：EP1722798B1

  公开（公告）日：2010-10-20
• US7875600B2
  申请人：——

  公开号：US7875600B2

  公开（公告）日：2011-01-25
• 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.