6-(2-Furyl)-9-(4-methylbenzyl)-9H-purine-2-carbonitrile | 442684-26-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 6-(2-Furyl)-9-(4-methylbenzyl)-9H-purine-2-carbonitrile
• 英文别名: 6-(furan-2-yl)-9-[(4-methylphenyl)methyl]purine-2-carbonitrile
• CAS: 442684-26-6
• 化学式: C₁₈H₁₃N₅O
• 分子量: 315.334
• InChiKey: MRUSBAMLSHRUGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  80.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-chloro-6-(2-furyl)-9-(4-methylphenylmethyl)-9H-purine 、 三乙烯二胺 在 氯仿 、 水 、 magnesium sulfate 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以to give the title compound (56 mg, 57%) as a pale green solid的产率得到6-(2-Furyl)-9-(4-methylbenzyl)-9H-purine-2-carbonitrile
  参考文献：
  名称：

  Purine derivatives as purinergic receptor antagonists

  摘要：

  使用公式（I）的化合物，其中R1选自烷基，芳基，烷氧基，芳氧基，0硫代烷基，硫代芳基，CN，卤素，NR5R6，NR4COR5，NR4CONR5R6，NR4CO2R7和NR4SO2R7; R2选自含N，O或S的杂环芳基基团，其中杂环芳基基团通过与一个或两个N，O或S杂原子相邻的不饱和碳原子连接，但不包括邻位或邻位二取代的杂环芳基基团; R3选自H，烷基，COR8，CONR9R10，CONR8NR9R10，CO2R11和SO2R11; 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可以连接形成杂环环; R7选自烷基和芳基; R8，R9和R10独立地选自H，烷基和芳基，或者R9和R10可以连接形成杂环环，或者当R8，R9和R10在（CONR8NR9R10）组中时，R8和R9可以连接形成杂环基团; R1选自烷基和芳基，或其药学上可接受的盐或前药，在治疗或预防封闭嘌呤受体（特别是腺苷受体，尤其是A2A受体）可能有益的疾病中，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; 公式（I）的化合物用于治疗; 以及公式（I）的新化合物本身。

  公开号：

  US20060270691A1

文献信息

• PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS
  申请人：VERNALIS RESEARCH LIMITED

  公开号：EP1349857A1

  公开（公告）日：2003-10-08
• US7452894B2
  申请人：——

  公开号：US7452894B2

  公开（公告）日：2008-11-18
• [EN] PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS PURINIQUES ET LEUR UTILISATION COMME ANTAGONISTES DES RÉCEPTEURS PURINERGIQUES
  申请人：VERNALIS RES LTD

  公开号：WO2002055521A1

  公开（公告）日：2002-07-18

  Use of a compound of formula (I) wherein R1 is selected from alkyl, aryl, alkoxy, aryloxy, 0thioalkyl, thioaryl, CN, halo, NR5R6, NR4COR5, NR4CONR5R6, NR4CO2R7 and NR4SO2R7; R2 is selected from N, O or S-containing heteroaryl groups, wherein the heteroaryl group is attached via an unsaturated carbon atom which is adjacent to one or two N, O or S-heteroatom(s), other than ortho, ortho-disubstituted heteroaryl groups; R3 is selected from H, alkyl, COR8, CONR9R10, CONR8NR9R10, CO2R11 and SO2R11; R4, R5 and R6 are independently selected from H, alkyl and aryl or where R5 and R6 are in an (NR5R6) group then R5 and R6 may be linked to form a heterocyclic ring; R7 is selected from alkyl and aryl; R8, R9 and R10 are independently selected from H, alkyl and aryl, or R9 and R10 may be linked to form a heterocyclic ring, or where R8, R9 and R10 are in a (CONR8NR9R10) group, R8 and R9 may be linked to form a heterocyclic group; and R11 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 A2A 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.
• Purine derivatives as purinergic receptor antagonists
  申请人：——

  公开号：US20040102459A1

  公开（公告）日：2004-05-27

  Use of a compound of formula (I) wherein R 1 is selected from alkyl, aryl, alkoxy, aryloxy, 0thioalkyl, thioaryl, CN, halo, 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 N, O or S-containing heteroaryl groups, wherein the heteroaryl group is attached via an unsaturated carbon atom which is adjacent to one or two N, O or S-heteroatom(s), other than ortho, ortho-disubstituted heteroaryl groups; R 3 is selected from H, alkyl, COR 8 , CONR 9 R 10 , CONR 8 NR 9 R 10 , CO 2 R 11 and SO 2 R 11 ; 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 then R 5 and R 6 may be linked to form a heterocyclic ring; R 7 is selected from alkyl and aryl; R 8 , R 9 and R 10 are independently selected from H, alkyl and aryl, or R 9 and R 10 may be linked to form a heterocyclic ring, or where R 8 , R 9 and R 10 are in a (CONR 8 NR 9 R 10 ) group, R 8 and R 9 may be linked to form a heterocyclic group; and R 11 , 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

  使用公式（I）中的化合物，其中R1从烷基、芳基、烷氧基、芳氧基、0硫代烷基、硫代芳基、CN、卤素、NR5R6、NR4COR5、NR4CONR5R6、NR4CO2R7和NR4SO2R7中选择；R2从含N、O或S的杂环芳基组中选择，其中该杂环芳基组通过与一个或两个N、O或S杂原子相邻的不饱和碳原子连接，除了邻位、邻位二取代的杂环芳基组之外；R3从H、烷基、COR8、CONR9R10、CONR8NR9R10、CO2R11和SO2R11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)基团中时，R5和R6可以连接形成杂环戒；R7从烷基和芳基中选择；R8、R9和R10分别从H、烷基和芳基中选择，或者R9和R10可以连接形成杂环戒，或者当R8、R9和R10在(CONR8NR9R10)基团中时，R8和R9可以连接形成杂环基团；R11从烷基和芳基中选择，或者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，可能有益的紊乱中，特别是当该紊乱是运动障碍，如帕金森病，或该紊乱是抑郁症、认知或记忆障碍、急性或慢性疼痛、ADHD或嗜睡症时，或用于主体的神经保护；公式（I）的化合物用于治疗；以及公式（I）的新化合物本身。