N-[(3aR,4S,6R,6aS)-6-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yl]-propionamide | 884653-85-4

• 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-[(3aR,4S,6R,6aS)-6-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yl]-propionamide
• 英文别名: N-{(3aR,4S,6R,6aS)-6-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yl}-propionamide；N-{(3aR,4S,6R,6aS)-6-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-yl}-propionamide；N-[(3aS,4R,6S,6aR)-4-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-(2,2-diphenylethylamino)purin-9-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]propanamide
• CAS: 884653-85-4
• 化学式: C₃₄H₄₂N₈O₃
• 分子量: 610.759
• InChiKey: RWQKUQYQEBIZIP-ASYCCXEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  45
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  132
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N-[(3aR,4S,6R,6aS)-6-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yl]-propionamide 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 4-methyl-piperazine-1-carboxylic acid {(R)-1-[9-((1R,2S,3R,4S)-2,3-dihydroxy-4-propionylamino-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purin-2-yl]-pyrrolidin-3-yl}-amide
  参考文献：
  名称：

  WO2007/121921

  摘要：

  公开号：
• 作为产物：
  描述：

  (1S,2R,3S,5R)-3-Amino-5-[2-chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-cyclopentane-1,2-diol trifluoroacetate 在 palladium hydroxide on carbon 氢气 、 对甲苯磺酸 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 乙醇 、 丙酮 为溶剂， 反应 2.0h， 生成 N-[(3aR,4S,6R,6aS)-6-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yl]-propionamide
  参考文献：
  名称：

  WO2007/121921

  摘要：

  公开号：

文献信息

• Organic Compounds
  申请人：Fairhurst Robin Alec

  公开号：US20100286126A1

  公开（公告）日：2010-11-11

  A compound of formula (I) or stereoisomers or pharmaceutically acceptable salts thereof, and their preparation and use as pharmaceuticals wherein R 1 , R 2 and R 3 are as defined herein.

  化合物的公式（I）或其立体异构体或药用可接受的盐，以及它们的制备和用途作为药物，其中R1、R2和R3如本文所定义。
• Purine Derivatives for Use as Adenosin A-2A Receptor Agonists
  申请人：Fairhurst Robin Alec

  公开号：US20080200483A1

  公开（公告）日：2008-08-21

  Compounds of formula I in free or salt form, wherein R 1 , R 2 and R 3 have the meanings as indicated in the specification, are useful for treating conditions mediated by activation of the adenosine A 2A receptor, especially inflammatory or obstructive airways diseases. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  公式I的化合物，无论是自由形式还是盐形式，其中R1、R2和R3具有规范中指定的含义，对于治疗由腺苷A2A受体激活介导的炎症或阻塞性呼吸道疾病是有用的。还描述了含有这些化合物的制药组合物和制备这些化合物的过程。
• Purine derivatives for use as adenosine A-2A receptor agonists
  申请人：Novartis AG

  公开号：US08163754B2

  公开（公告）日：2012-04-24

  Compounds of formula I in free or salt form, wherein R1, R2 and R3 have the meanings as indicated in the specification, are useful for treating conditions mediated by activation of the adenosine A2A receptor, especially inflammatory or obstructive airways diseases. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  式I的化合物，无论是自由形式还是盐形式，其中R1、R2和R3的含义如规范中所示，可用于治疗由腺苷A2A受体激活介导的疾病，特别是炎症性或阻塞性空气道疾病。还描述了包含这些化合物的制药组合物以及制备这些化合物的过程。
• Organic compounds
  申请人：Novartis AG

  公开号：US08318750B2

  公开（公告）日：2012-11-27

  A compound of formula (I) or stereoisomers or pharmaceutically acceptable salts thereof, and their preparation and use as pharmaceuticals wherein R1, R2 and R3 are as defined herein.

  式(I)的化合物或其立体异构体或药学上可接受的盐，以及它们的制备和用作药物，其中R1、R2和R3如本文所定义。
• ORGANIC COMPOUNDS
  申请人：Fairhurst Robin Alec

  公开号：US20120004212A1

  公开（公告）日：2012-01-05

  A compound of formula (I) or stereoisomers or pharmaceutically acceptable salts thereof, and their preparation and use as pharmaceuticals wherein R 1 , R 2 and R 3 are as defined herein.

  公式（I）的化合物或其立体异构体或药学上可接受的盐，以及它们的制备和用途作为药物，其中R1，R2和R3如此定义。