1,3-Dipropyl-8-(3,4-dimethoxystyr-yl)-7-methylxanthine

• 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: 1,3-Dipropyl-8-(3,4-dimethoxystyr-yl)-7-methylxanthine
• 英文别名: 8-[2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
• 化学式: C₂₂H₂₈N₄O₄
• 分子量: 412.5
• InChiKey: UQGGPCQNHJCOPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  76.9
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• [EN] TRIAZOLO [4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE TRIAZALO [4, 5-D] PYRAMIDINE ET LEUR UTILISATION COMME ANTAGONISTES DES RÉCEPTEURS DE LA PURINE
  申请人：VERNALIS R & D LTD

  公开号：WO2009156737A1

  公开（公告）日：2009-12-30

  Compounds of formula (I) that are capable of acting as purine receptor antagonists, pharmaceutical compositions including the compounds, and methods of making the compounds, are. disclosed. The compounds and compositions can be used in treating or preventing disorders related to purine receptor hyperfunctioning.

  具有化学式（I）的化合物，能够作为嘌呤受体拮抗剂的药物组合物，以及制备这些化合物的方法已被披露。这些化合物和组合物可用于治疗或预防与嘌呤受体过度功能有关的疾病。
• [EN] PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST<br/>[FR] COMPOSES DE PYRIMIDINE UTILISES COMME ANTAGONISTE DES RECEPTEURS DE LA PURINE
  申请人：VERNALIS R & D LTD

  公开号：WO2005079800A1

  公开（公告）日：2005-09-01

  Compounds of formula (1); wherein R1 is optionally substituted C1-C3alkyl C2-C3alkenyl, or C2-C3alkynyl, or -NR6R1, -ORB, -SR9 or halogen; R3 is H; optionally substituted C,-Csalkyl, C2-C6alkenyl, C2­C6alkynyl, or C3-C7 cycloalkyl, halogen; OH or OR10; R4 is H, optionally substituted C1­C6alkyl, C3-C6alkenyl, C3-C6alkynyl, C3-C7 cycloalkyl, aryl or heteroaryl, R5 is H or Optionally substituted C1-C6alkyl, C3-C6alkenyl, C3-C6alkynyl, or C3-C7 cycloalkyl; or R4 and R5 together form a 5 or 6-membered heterocyclic ring; and R7, R8, R9 and R10 are optionally substituted C1-C3alkyl, C2-C3alkenyl, C2-C3alkynyl, or C3-C7 cycloalkyl; are purine receptor, particularly adenosine receptor antagonists, useful for treatment of, inter alia, movement disorders such as Parkinsons disease.

  式（1）的化合物；其中R1是可选择取代的C1-C3烷基，C2-C3烯基，或C2-C3炔基，或-NR6R1，-ORB，-SR9或卤素；R3是H；可选择取代的C1-C6烷基，C2-C6烯基，C2-C6炔基，或C3-C7环烷基，卤素；OH或OR10；R4是H，可选择取代的C1-C6烷基，C3-C6烯基，C3-C6炔基，C3-C7环烷基，芳基或杂环芳基，R5是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共同形成5或6元杂环；而R7，R8，R9和R10是可选择取代的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，用于治疗包括帕金森病在内的运动障碍。
• Pyrazolo[3,4-d]pyrimidine derivatives and their use as purinergic receptor antagonists
  申请人：——

  公开号：US20040116447A1

  公开（公告）日：2004-06-17

  Use of a compound of formula (I): wherein R 1 is selected from alkyl, alkoxy, aryloxy, alkylthio, arylthio, aryl, halogen, CN, NR 6 R 7 , NR 5 COR 6 , NR 5 CONR 6 R 7 , NR 5 CO 2 R 8 and NR 5 SO 2 R 8 ; R 2 is selected from heteroaryl attached via an unsaturated carbon; R 3 is selected from H, alkyl, halogen, OR 5 , SR 5 and NR 6 R 7 ; R 4 is selected from H, acyclic alkyl, CONR 6 R 7 , CONR 5 NR 6 R 7 , COR 6 , CO 2 R 8 and SO 2 R; R 5 , R 6 and R 7 are independently selected from H, alkyl and aryl, or where R 6 and R 7 are in an NR 6 R 7 group, R 6 and R 7 may be linked to form a heterocyclic group, or where R 5 , R 6 and R 7 are in a (CONR 5 NR 6 R 7 ) group, R 5 and R 6 may be linked to form a heterocyclic group; and R 8 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）的化合物，其中R1从烷基、烷氧基、芳氧基、烷硫基、芳硫基、芳基、卤素、CN、NR6R7、NR5COR6、NR5CONR6R7、NR5CO2R8和NR5SO2R8中选择；R2从通过不饱和碳连接的杂环芳基中选择；R3从H、烷基、卤素、OR5、SR5和NR6R7中选择；R4从H、非环烷基、CONR6R7、CONR5NR6R7、COR6、CO2R8和SO2R中选择；R5、R6和R7分别从H、烷基和芳基中选择，或者当R6和R7在NR6R7基团中时，R6和R7可以连接形成杂环基团，或者当R5、R6和R7在（CONR5NR6R7）基团中时，R5和R6可以连接形成杂环基团；R8从烷基和芳基中选择，或其在治疗或预防妨碍嘌呤受体，特别是腺苷受体，尤其是A2A受体的紊乱中的使用，可能是有益的，特别是其中所述紊乱是帕金森病等运动紊乱，或所述紊乱是抑郁症、认知或记忆障碍、急性或慢性疼痛、ADHD或嗜睡症，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。
• 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。
• Thieno(3,2-d)pyrimidines and furano(3,2-d)pyimidines and their use as purinergic receptor antagonists
  申请人：——

  公开号：US20040097524A1

  公开（公告）日：2004-05-20

  A compound of formula (I), wherein X is S or O; R 1 is selected from H, alkyl, aryl, hydroxy, alkoxy, aryloxy, thioalkyl, thioaryl, halogen, CN, COR 5 , CO 2 R 5 , CONR 6 R 7 , CONR 5 NR 6 R 7 , NR 6 R 7 , NR 5 CONR 6 R 7 , NR 5 COR 6 , NR 5 CO 2 R 8 , and NR 5 SO 2 R 8 ; R 2 is selected from aryl attached via an unsaturated carbon atom; R 3 is selected from H, alkyl, hydroxy, alkoxy, halogen, CN and NO 2 ; R 4 is selected from H, alkyl, aryl, hydroxy, alkoxy, aryloxy, thioalkyl, thioaryl, halogen, CN, NO 2 , COR 5 , CO 2 R 5 , CONR 6 R 7 , CONR 5 NR 6 R 7 , NR 6 R 7 , NR 5 CONR 6 R 7 , NR 5 COR 6 , NR 5 CO 2 R 8 and NR 5 SO 2 R 8 ; R 5 , R 6 and R 7 are independently selected from H, alkyl and aryl or where R 6 and R 7 are in an (NR 6 R 7 ) group, R 6 and R 7 may be linked to form a heterocyclic group, or where R 5 , R 6 and R 7 are in a (CONR 5 NR 6 R 7 ) group, R 5 and R 6 may be linked to form a heterocyclic group; and R 8 is selected from alkyl and aryl, or a pharmaceutically acceptable salt thereof or prodrug thereof, and the use thereof in therapy and 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 a Parkinson's disease or said disorder is depression, cognitive or memory impairment, acute or chronic pain, ADHD or narcolepsy, or wherein said medicament is for neuroprotection in a subject. 1

  式（I）的化合物，其中X为S或O；R1选择自H，烷基，芳基，羟基，烷氧基，芳氧基，硫代烷基，硫代芳基，卤素，CN，COR5，CO2R5，CONR6R7，CONR5NR6R7，NR6R7，NR5CONR6R7，NR5COR6，NR5CO2R8和NR5SO2R8；R2选择自通过不饱和碳原子连接的芳基；R3选择自H，烷基，羟基，烷氧基，卤素，CN和NO2；R4选择自H，烷基，芳基，羟基，烷氧基，芳氧基，硫代烷基，硫代芳基，卤素，CN，NO2，COR5，CO2R5，CONR6R7，CONR5NR6R7，NR6R7，NR5CONR6R7，NR5COR6，NR5CO2R8和NR5SO2R8；R5，R6和R7独立选择自H，烷基和芳基，或者当R6和R7在（NR6R7）基团中时，R6和R7可以连接形成杂环基团，或者当R5，R6和R7在（CONR5NR6R7）基团中时，R5和R6可以连接形成杂环基团；R8选择自烷基和芳基，或其在治疗中的药用盐或前药，以及其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的使用，特别是其中所述紊乱是帕金森病等运动障碍或所述紊乱是抑郁症、认知或记忆障碍、急性或慢性疼痛、ADHD或嗜睡症，或者其中所述药物是用于受试者的神经保护。