N'-[2-amino-9-[(3,4-dimethoxyphenyl)methyl]-7-methyl-8-oxo-purin-6-yl]furan-2-carbohydrazide | 1367367-44-9

• 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: N'-[2-amino-9-[(3,4-dimethoxyphenyl)methyl]-7-methyl-8-oxo-purin-6-yl]furan-2-carbohydrazide
• 英文别名: N'-[2-amino-9-[(3,4-dimethoxyphenyl)methyl]-7-methyl-8-oxopurin-6-yl]furan-2-carbohydrazide
• CAS: 1367367-44-9
• 化学式: C₂₀H₂₁N₇O₅
• 分子量: 439.431
• InChiKey: CWKQBLFDARMWBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  148
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N'-[2-amino-9-[(3,4-dimethoxyphenyl)methyl]-7-methyl-8-oxo-purin-6-yl]furan-2-carbohydrazide 在 aluminum (III) chloride 、 N,O-双三甲硅基乙酰胺 、 potassium carbonate 、 六甲基二硅氮烷 作用下， 以 N,N-二甲基甲酰胺 、 邻二氯苯 为溶剂， 反应 51.75h， 生成 5-amino-8-(2-furyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one
  参考文献：
  名称：

  [EN] FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST
  [FR] COMPOSÉS TRICYCLIQUES FUSIONNÉS UTILISÉS COMME ANTAGONISTES DU RÉCEPTEUR DE L'ADÉNOSINE

  摘要：

  公开号：

  WO2012038980A3
• 作为产物：
  描述：

  2-amino-6-chloro-9-[(3,4-dimethoxyphenyl)methyl]-7H-purin-8-one 在 N-甲基吗啉 、 hydrazine hydrate 、 potassium carbonate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 46.0h， 生成 N'-[2-amino-9-[(3,4-dimethoxyphenyl)methyl]-7-methyl-8-oxo-purin-6-yl]furan-2-carbohydrazide
  参考文献：
  名称：

  [EN] FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST
  [FR] COMPOSÉS TRICYCLIQUES FUSIONNÉS UTILISÉS COMME ANTAGONISTES DU RÉCEPTEUR DE L'ADÉNOSINE

  摘要：

  公开号：

  WO2012038980A3

文献信息

• Fused tricyclic compounds as adenosine receptor antagonist
  申请人：Barawkar Dinesh

  公开号：US09006177B2

  公开（公告）日：2015-04-14

  The present disclosure relates to fused tricyclic compounds of formula (I) or its tautomers, polymorphs, stereoisomers, prodrugs, solvate or a pharmaceutically acceptable salts, or pharmaceutical compositions containing them and methods of treating conditions and diseases that are mediated by thereof as A2A adenosine receptor antagonists. The compounds of the present disclosure are useful in the treatment, prevention or suppression of diseases and disorders that may be susceptible to improvement by the mediation of adenosine A2A receptor. Such conditions include, but are not limited to, Parkinsons disease, restless leg syndrome, Alzheimers disease, neurodegenerative disorder, inflammation, wound healing, dermal fibrosis, nocturnal myoclonus, cerebral ischaemia, myocardial ischemia, Huntington's disease, multiple system atrophy, corticobasal degeneration, Wilson's disease or other disorders of basal ganglia which results in dyskinesias, post traumatic stress disorder, hepatic cirrhosis, sepsis, spinal cord injury, retinopathy, hypertension, social memory impairment, depression, neuroprotection, narcolepsy or other sleep related disorders, attention deficit hyperactivity disorder, drug addiction, post traumatic stress disorder and vascular injury and the like. The present disclosure also relates to methods for the preparation of such compounds, and to pharmaceutical compositions containing them.

  本公开涉及式（I）或其互变异构体、多晶形、立体异构体、前药、溶剂化物或药学上可接受的盐的熔合三环化合物，或包含它们的制药组合物以及治疗由A2A腺苷受体拮抗剂介导的疾病和病症的方法。本公开的化合物在治疗、预防或抑制可能通过腺苷A2A受体介导改善的疾病和疾病中很有用。这些疾病包括但不限于帕金森病、不宁腿综合症、阿尔茨海默病、神经退行性疾病、炎症、创伤愈合、皮肤纤维化、夜间肌阵挛、脑缺血、心肌缺血、亨廷顿病、多系统萎缩、皮质基底节变性、威尔逊病或导致运动障碍的其他基底节疾病、创伤后应激障碍、肝硬化、败血症、脊髓损伤、视网膜病变、高血压、社交记忆障碍、抑郁症、神经保护、嗜睡病或其他睡眠相关疾病、注意力缺陷多动障碍、药物成瘾、创伤后应激障碍和血管损伤等。本公开还涉及制备这种化合物的方法和包含它们的制药组合物。
• FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST
  申请人：Dinesh Barawkar

  公开号：US20130252885A1

  公开（公告）日：2013-09-26

  The present disclosure relates to fused tricyclic compounds of formula (I) or its tautomers, polymorphs, stereoisomers, prodrugs, solvate or a pharmaceutically acceptable salts, or pharmaceutical compositions containing them and methods of treating conditions and diseases that are mediated by thereof as A2A adenosine receptor antagonists. The compounds of the present disclosure are useful in the treatment, prevention or suppression of diseases and disorders that may be susceptible to improvement by the mediation of adenosine A2A receptor. Such conditions include, but are not limited to, Parkinsons disease, restless leg syndrome, Alzheimers disease, neurodegenerative disorder, inflammation, wound healing, dermal fibrosis, nocturnal myoclonus, cerebral ischaemia, myocardial ischemia, Huntington's disease, multiple system atrophy, corticobasal degeneration, Wilson's disease or other disorders of basal ganglia which results in dyskinesias, post traumatic stress disorder, hepatic cirrhosis, sepsis, spinal cord injury, retinopathy, hypertension, social memory impairment, depression, neuroprotection, narcolepsy or other sleep related disorders, attention deficit hyperactivity disorder, drug addiction, post traumatic stress disorder and vascular injury and the like. The present disclosure also relates to methods for the preparation of such compounds, and to pharmaceutical compositions containing them.

  本公开涉及式（I）的熔合三环化合物或其互变异构体、多晶体、立体异构体、前药、溶剂化物或药学上可接受的盐，或含有它们的制药组合物，以及治疗由A2A腺苷受体拮抗剂介导的疾病和病症的方法。本公开的化合物在治疗、预防或抑制可能通过腺苷A2A受体介导改善的疾病和障碍方面非常有用。这些病症包括但不限于帕金森病、不宁腿综合症、阿尔茨海默病、神经退行性疾病、炎症、伤口愈合、皮肤纤维化、夜间肌阵挛、脑缺血、心肌缺血、亨廷顿病、多系统萎缩、皮质基底节退化、威尔逊病或其他导致运动障碍的基底节障碍、创伤后应激障碍、肝硬化、败血症、脊髓损伤、视网膜病、高血压、社交记忆障碍、抑郁症、神经保护、嗜睡症或其他睡眠相关障碍、注意力缺陷多动障碍、药物成瘾、创伤后应激障碍和血管损伤等。本公开还涉及制备这种化合物的方法，以及含有它们的制药组合物。
• US9006177B2
  申请人：——

  公开号：US9006177B2

  公开（公告）日：2015-04-14
• [EN] FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST<br/>[FR] COMPOSÉS TRICYCLIQUES FUSIONNÉS UTILISÉS COMME ANTAGONISTES DU RÉCEPTEUR DE L'ADÉNOSINE
  申请人：ADVINUS THERAPEUTICS LTD

  公开号：WO2012038980A3

  公开（公告）日：2012-05-18