(5-Amino-7-(2-Furyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-Yl)Acetic Acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (5-Amino-7-(2-Furyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-Yl)Acetic Acid
• 英文别名: 2-[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]acetic acid
• 化学式: C₁₀H₈N₆O₃
• 分子量: 260.21
• InChiKey: VNMKHYOSPJVOAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  133
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (5-Amino-7-(2-Furyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-Yl)Acetic Acid 、 Carbonyldiimidazole 、 3-氯苯胺 以 N,N-二甲基甲酰胺 、 水 为溶剂， 反应 17.0h， 以to give the title compound (94 mg, 48%) as a cream solid的产率得到(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-N-(3-chlorophenyl)acetamide
  参考文献：
  名称：

  Triazolo[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists

  摘要：

  使用公式（I）的化合物，其中R1从H，烷基，芳基，烷氧基，芳氧基，烷硫基，芳硫基，卤素，CN，NR5R6，NR4COR5，NR4CONR5R6，NR4CO2R7和NR4SO2R7中选择；R2从通过不饱和碳连接的芳基中选择；R3从H，烷基，COR5，CO2R7，CONR5R6，CONR4NR5R6和SO2R7中选择；R4，R5和R6分别从H，烷基和芳基中选择，或者当R5和R6在NR5R6中时，它们可以连接形成杂环基团，或者当R4，R5和R6在（CONR4NR5R6）基团中时，R4和R5可以连接形成杂环基团；并且R7从烷基和芳基中选择，或其药学上可接受的盐或前药，在治疗或预防阻断嘌呤受体，特别是腺苷受体，尤其是A2A受体可能有益的疾病中使用，特别是其中所述的疾病是运动障碍，如帕金森病，或所述的疾病是抑郁症，认知或记忆障碍，急性或慢性疼痛，注意力缺陷多动障碍或嗜睡症，或用于保护神经系统。公式（I）的化合物用于治疗；以及公式（I）的新型化合物本身。

  公开号：

  US20080234296A1
• 作为产物：
  描述：

  Ethyl 5-Amino-7-(2-Furyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-Ylacetate 、 sodium hydroxide 、 三溴化硼 以 甲醇 为溶剂， 反应 0.17h， 以to give the title compound (417 mg, 85%) as a white solid的产率得到(5-Amino-7-(2-Furyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-Yl)Acetic Acid
  参考文献：
  名称：

  Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists

  摘要：

  使用化合物公式（I）：其中R1从H，烷基，芳基，烷氧基，芳氧基，烷硫基，芳硫基，卤素，CN，NR5R6，NR4COR5，NR4CONR5R6，NR4CO2R7和NR4SO2R7中选择；R2从通过不饱和碳连接的芳基中选择；R3从H，烷基，COR5，CO2R7，CONR5R6，CONR4NR5R6和SO2R7中选择；R4，R5和R6独立选择自H，烷基和芳基，或者当R5和R6在NR5R6组中时，R5和R6可以连接形成杂环基团，或者当R4，R5和R6在（CONR4NR5R6）组中时，R4和R5可以连接形成杂环基团；而R7从烷基和芳基中选择，或其药物可接受的盐或前药，在治疗或预防阻断嘌呤受体，特别是腺苷受体，尤其是A2A受体可能有益的疾病中使用，特别是其中所述疾病是运动障碍，如帕金森病，或所述疾病是抑郁症，认知或记忆障碍，急性或慢性疼痛，ADHD或嗜睡症，或用于神经保护。化合物公式（I）用于治疗；以及化合物公式（I）本身的新化合物。

  公开号：

  US07405219B2

文献信息

• Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists
  申请人：——

  公开号：US20040097526A1

  公开（公告）日：2004-05-20

  The use of a compound of formula (1): wherein R 1 is selected from H, alkyl, aryl, alkoxy, aryloxy, alkylthio, arylthio, halogen, CN, NR 5 R 6 , NR 4 CONR 5 R 6 , NR 4 CONR 5 R 6 NR 4 CO 2 R 7 and NR 4 SO 2 R 7 ; R 2 is selected from aryl attached via an unsaturated carbon; R 3 is selected from H, alkyl, COR 5 , CO 2 R 7 , CONR 5 R 6 , CONR 4 NR 5 R 6 and SO 2 R 7 ; R 4 , R 5 and R 6 are independently selected from H, alkyl and aryl or where R 5 and R 6 are in an NR 5 R 6 group, R 5 and R 6 may be linked to form a heterocyclic group, or where R 4 ,R 5 and R 6 are in a (CONR 4 NR 5 R 6 ) group, R 4 and R 5 may be linked to form a heterocyclic group; and R 7 is selected from alkyl and aryl, or a pharmaceutically acceptable salt thereof or prodrug thereof, in the treatment or prevention of a disorder in which the blocking of purine receptors, particularly adenosine receptors and more particularly A 2A receptors, may be beneficial, particularly wherein said disorder is a movement disorder such as Parkinson's disease or said disorder is depression, cognitive or memory impairment, acute or chronic pain, ADHD or narcolepsy, or for neuroprotection in a subject; compounds of formula (I) for use in therapy; and novel compounds of formula (I) per se. 1

  使用式（1）的化合物：其中R1选自H，烷基，芳基，烷氧基，芳氧基，烷硫基，芳硫基，卤素，CN，NR5R6，NR4CONR5R6，NR4CONR5R6NR4CO2R7和NR4SO2R7；R2选自通过不饱和碳连接的芳基；R3选自H，烷基，COR5，CO2R7，CONR5R6，CONR4NR5R6和SO2R7；R4，R5和R6独立地选自H，烷基和芳基，或者当R5和R6在NR5R6组中时，R5和R6可以连接形成杂环基团，或者当R4，R5和R6在（CONR4NR5R6）组中时，R4和R5可以连接形成杂环基团；以及R7选自烷基和芳基，或其药学上可接受的盐或前药，用于治疗或预防阻断嘌呤受体，特别是腺苷受体，尤其是A2A受体，可能有益的疾病，特别是该疾病为运动障碍，如帕金森病，或该疾病为抑郁症，认知或记忆障碍，急性或慢性疼痛，ADHD或嗜睡症，或用于主体的神经保护；式（I）的化合物用于治疗；以及式（I）的新化合物本身。
• Triazolo[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists
  申请人：Gillespie Roger John

  公开号：US20080234296A1

  公开（公告）日：2008-09-25

  The use of a compound of formula (I): wherein R 1 is selected from H, alkyl, aryl, alkoxy, aryloxy, alkylthio, arylthio, halogen, CN, NR 5 R 6 , NR 4 COR 5 , NR 4 CONR 5 R 6 , NR 4 CO 2 R 7 and NR 4 SO 2 R 7 ; R 2 is selected from aryl attached via an unsaturated carbon; R 3 is selected from H, alkyl, COR 5 , CO 2 R 7 , CONR 5 R 6 , CONR 4 NR 5 R 6 and SO 2 R 7 ; R 4 , R 5 and R 6 are independently selected from H, alkyl and aryl or where R 5 and R 6 are in an NR 5 R 6 group, R 5 and R 6 may be linked to form a heterocyclic group, or where R 4 , R 5 and R 6 are in a (CONR 4 NR 5 R 6 ) group, R 4 and R 5 may be linked to form a heterocyclic group; and R 7 is selected from alkyl and aryl, or a pharmaceutically acceptable salt thereof or prodrug thereof, in the treatment or prevention of a disorder in which the blocking of purine receptors, particularly adenosine receptors and more particularly A 2A receptors, may be beneficial, particularly wherein said disorder is a movement disorder such as Parkinson's disease or said disorder is depression, cognitive or memory impairment, acute or chronic pain, ADHD or narcolepsy, or for neuroprotection in a subject; compounds of formula (I) for use in therapy; and novel compounds of formula (I) per se.

  使用公式（I）的化合物，其中R1从H，烷基，芳基，烷氧基，芳氧基，烷硫基，芳硫基，卤素，CN，NR5R6，NR4COR5，NR4CONR5R6，NR4CO2R7和NR4SO2R7中选择；R2从通过不饱和碳连接的芳基中选择；R3从H，烷基，COR5，CO2R7，CONR5R6，CONR4NR5R6和SO2R7中选择；R4，R5和R6分别从H，烷基和芳基中选择，或者当R5和R6在NR5R6中时，它们可以连接形成杂环基团，或者当R4，R5和R6在（CONR4NR5R6）基团中时，R4和R5可以连接形成杂环基团；并且R7从烷基和芳基中选择，或其药学上可接受的盐或前药，在治疗或预防阻断嘌呤受体，特别是腺苷受体，尤其是A2A受体可能有益的疾病中使用，特别是其中所述的疾病是运动障碍，如帕金森病，或所述的疾病是抑郁症，认知或记忆障碍，急性或慢性疼痛，注意力缺陷多动障碍或嗜睡症，或用于保护神经系统。公式（I）的化合物用于治疗；以及公式（I）的新型化合物本身。
• Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists
  申请人：Gillespie John Roger

  公开号：US20070049607A1

  公开（公告）日：2007-03-01

  The use of a compound of formula (I): wherein R 1 is selected from H, alkyl, aryl, alkoxy, aryloxy, alkylthio, arylthio, halogen, CN, NR 5 R 6 , NR 4 COR 5 , NR 4 CONR 5 R 6 , NR 4 CO 2 R 7 and NR 4 SO 2 R 7 ; R 2 is selected from aryl attached via an unsaturated carbon; R 3 is selected from H, alkyl, COR 5 , CO 2 R 7 , CONR 5 R 6 , CONR 4 NR 5 R 6 and SO 2 R 7 ; R 4 , R 5 and R 6 are independently selected from H, alkyl and aryl or where R 5 and R 6 are in an NR 5 R 6 group, R 5 and R 6 may be linked to form a heterocyclic group, or where R 4 , R 5 and R 6 are in a (CONR 4 NR 5 R 6 ) group, R 4 and R 5 may be linked to form a heterocyclic group; and R 7 is selected from alkyl and aryl, or a pharmaceutically acceptable salt thereof or prodrug thereof, in the treatment or prevention of a disorder in which the blocking of purine receptors, particularly adenosine receptors and more particularly A 2A receptors, may be beneficial, particularly wherein said disorder is a movement disorder such as Parkinson's disease or said disorder is depression, cognitive or memory impairment, acute or chronic pain, ADHD or narcolepsy, or for neuroprotection in a subject; compounds of formula (I) for use in therapy; and novel compounds of formula (I) per se.

  使用化合物式(I)的化合物：其中R1从H、烷基、芳基、烷氧基、芳氧基、烷硫基、芳硫基、卤素、CN、NR5R6、NR4COR5、NR4CONR5R6、NR4CO2R7和NR4SO2R7中选择；R2从通过不饱和碳连接的芳基中选择；R3从H、烷基、COR5、CO2R7、CONR5R6、CONR4NR5R6和SO2R7中选择；R4、R5和R6分别从H、烷基和芳基中选择，或者当R5和R6在NR5R6组中时，R5和R6可以连接形成杂环基团，或者当R4、R5和R6在(CONR4NR5R6)组中时，R4和R5可以连接形成杂环基团；以及R7从烷基和芳基中选择，或其药学上可接受的盐或前药，在治疗或预防阻断嘌呤受体特别是腺苷受体，尤其是A2A受体可能有益的疾病中使用，特别是其中所述疾病是运动障碍如帕金森病或所述疾病是抑郁症、认知或记忆障碍、急性或慢性疼痛、ADHD或嗜睡症，或用于对受试者进行神经保护；化合物式(I)的化合物用于治疗；以及化合物式(I)的新化合物本身。
• TRIAZOLO 4,5-d PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS
  申请人：VERNALIS RESEARCH LIMITED

  公开号：EP1392312B1

  公开（公告）日：2009-03-04
• US7141575B2
  申请人：——

  公开号：US7141575B2

  公开（公告）日：2006-11-28