9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydro-2-furanyl]-6-[(2,2-diphenylethyl)amino]-N-[3-(1-pyrrolidinyl)propyl]-9H-purine-2-carboxamide

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydro-2-furanyl]-6-[(2,2-diphenylethyl)amino]-N-[3-(1-pyrrolidinyl)propyl]-9H-purine-2-carboxamide
• 英文别名: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-[(2,2-diphenylethyl)amino]-N-[3-(1-pyrrolidinyl)propyl]-9H-purine-2-carboxamide；9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl-]6-[(2,2-diphenylethyl)amino]-N-[3-(1-pyrrolidinyl)propyl]-9H-purine-2-carboxamide；9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)-N-(3-pyrrolidin-1-ylpropyl)purine-2-carboxamide
• 化学式: C₃₂H₃₉N₇O₅
• 分子量: 601.706
• InChiKey: AJDRQAFLYHVTOO-YVIFWTNJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  44
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  158
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1-(3-氨基丙基)吡咯烷 、 methyl 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydro-2-furanyl]-6-[(2,2-diphenylethyl)amino]-9H-purine-2-carboxylate 在 氮气 、 crude product 、 silica gel 、 methanol-dichloromethane 、 乙醚 作用下， 以 乙醚 为溶剂， 反应 1.25h， 以Trituration with diethyl ether gave the title compound as a white solid (34 mg)的产率得到9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydro-2-furanyl]-6-[(2,2-diphenylethyl)amino]-N-[3-(1-pyrrolidinyl)propyl]-9H-purine-2-carboxamide
  参考文献：
  名称：

  Purine derivatives

  摘要：

  本发明涉及以下式的化合物及其药学上可接受的盐和溶剂化合物，以及制备这些化合物的过程、制备中使用的中间体、含有这些化合物的组合物和这些化合物作为腺苷A2a受体激动剂的用途。

  公开号：

  US20050124574A1

文献信息

• Combination of an adenosine A2A-receptor agonist and tiotropium or a derivative thereof for treating obstructive airways and other inflammatory diseases
  申请人：Boehringer Ingelheim Pharma KG

  公开号：US20030013675A1

  公开（公告）日：2003-01-16

  A combination of therapeutic agents useful in the treatment of obstructive airways and other inflammatory diseases comprising (i) an adenosine A 2A receptor agonist; and (ii) an anti-cholinergic agent, preferably comprising a member selected from the group consisting of tiotropium and derivatives thereof; the combination being therapeutically effective in the treatment of the diseases when administered by inhalation; as well as to a method of treating the obstructive airways and other inflammatory diseases comprising administering separately, simultaneously or sequentially to the mammal by inhalation a therapeutically effective amount of the combination of therapeutic agents; as well as to a pharmaceutical composition comprising a pharmaceutically acceptable carrier together with the combination of therapeutic agents; as well as to a product containing the compounds of the combination for separate, simultaneous or sequential administration by inhalation to a mammal for the treatment of obstructive airways and other inflammatory diseases. It is preferred that the anti-cholinergic agent component be tiotropium bromide.

  一种用于治疗阻塞性气道和其他炎症性疾病的治疗剂组合，包括(i) 一种腺苷 A 2A 受体激动剂；以及(ii) 抗胆碱能药物，优选包含选自由噻托溴铵及其衍生物组成的组中的成员；当通过吸入给药时，该组合对治疗疾病有效；以及治疗阻塞性气道和其他炎症性疾病的方法，包括通过吸入给哺乳动物分别、同时或依次给药治疗有效量的治疗剂组合；以及包含药学上可接受的载体和治疗剂组合物的药物组合物；以及包含组合物化合物的产品，用于通过吸入对哺乳动物单独、同时或连续给药，以治疗阻塞性气道和其他炎症性疾病。抗胆碱能药物成分最好是噻托溴铵。
• US6900309B1
  申请人：——

  公开号：US6900309B1

  公开（公告）日：2005-05-31
• Purine derivatives
  申请人：Mantell Simon J.

  公开号：US06900309B1

  公开（公告）日：2005-05-31

  The present invention relates to compounds of the formula and pharmaceutically acceptable salts and solvates thereof, and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such compounds as adenosine A2a receptor agonists.

  本发明涉及具有以下公式的化合物、以及它们的药用可接受盐和溶剂化物，还涉及制备这些化合物、在制备中使用的中间体、包含这些化合物的组合物以及作为腺苷A2a受体激动剂的用途。