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6-(2-Furyl)-9-(3-methoxybenzyl)-9H-purine-2-amine | 442684-51-7

中文名称
——
中文别名
——
英文名称
6-(2-Furyl)-9-(3-methoxybenzyl)-9H-purine-2-amine
英文别名
6-(furan-2-yl)-9-[(3-methoxyphenyl)methyl]purin-2-amine
6-(2-Furyl)-9-(3-methoxybenzyl)-9H-purine-2-amine化学式
CAS
442684-51-7
化学式
C17H15N5O2
mdl
——
分子量
321.338
InChiKey
JYKYLQJPKIJUOX-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    618.7±65.0 °C(Predicted)
  • 密度:
    1.42±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2
  • 重原子数:
    24
  • 可旋转键数:
    4
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.12
  • 拓扑面积:
    92
  • 氢给体数:
    1
  • 氢受体数:
    6

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    6-(2-Furyl)-9-(3-methoxybenzyl)-9H-purine-2-amine盐酸 、 ammonium chloride 、 三溴化硼 作用下, 以 1,4-二氧六环甲醇4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran碳酸氢钠 为溶剂, 以48%的产率得到6-(2-Furyl)-9-(3-hydroxybenzyl)-9H-purine-2-amine
    参考文献:
    名称:
    Purine derivatives as purinergic receptor antagonists
    摘要:
    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。
    公开号:
    US20040102459A1
  • 作为产物:
    描述:
    6-(furan-2-yl)-9-tritylpurin-2-amine 在 盐酸potassium carbonate 作用下, 以 N,N-二甲基甲酰胺 为溶剂, 生成 6-(2-Furyl)-9-(3-methoxybenzyl)-9H-purine-2-amine
    参考文献:
    名称:
    6-(2-Furanyl)-9H-purin-2-amine derivatives as A2A adenosine antagonists
    摘要:
    Structure-activity relationships have been investigated through substitutions at the 9-position of the 2-amino-6-(2-furanyl) purine (5) to identify novel and selective A(2A) adenosine receptor antagonists. Several potent and selective antagonists were identified. In particular, compounds 20, 25, and 26 show very high affinity with excellent selectivity. (c) 2005 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2005.02.031
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文献信息

  • Antagonists of the human adenosine A2A receptor. Part 3: Design and synthesis of pyrazolo[3,4-d]pyrimidines, pyrrolo[2,3-d]pyrimidines and 6-arylpurines
    作者:Roger J. Gillespie、Ian A. Cliffe、Claire E. Dawson、Colin T. Dourish、Suneel Gaur、Allan M. Jordan、Antony R. Knight、Joanne Lerpiniere、Anil Misra、Robert M. Pratt、Jonathan Roffey、Gemma C. Stratton、Rebecca Upton、Scott M. Weiss、Douglas S. Williamson
    DOI:10.1016/j.bmcl.2008.03.072
    日期:2008.5
    A series of pyrazolo[3,4-d]pyrimidine, pyrrolo[2,3-d]pyrimidine and 6-arylpurine adenosine A(2A) antagonists is described. Many examples were highly selective against the human A(1) receptor sub-type and were active in an in vivo model of Parkinson's disease.
    描述了一系列的吡唑并[3,4-d]嘧啶,吡咯并[2,3-d]嘧啶和6-芳基嘌呤腺苷A(2A)拮抗剂。许多示例对人类A(1)受体亚型具有高度选择性,并且在帕金森氏病的体内模型中具有活性。
  • 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。
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