N-{[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(methoxymethyl)tetrahydro-2-furanyl]-6-[(2,2-diphenylethyl)amino]-9H-purin-2-yl]methyl}-2-phenylacetamide

• 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: N-{[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(methoxymethyl)tetrahydro-2-furanyl]-6-[(2,2-diphenylethyl)amino]-9H-purin-2-yl]methyl}-2-phenylacetamide
• 英文别名: N-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]methyl]-2-phenylacetamide
• 化学式: C₃₄H₃₆N₆O₅
• 分子量: 608.7
• InChiKey: RKSLEHVEPXBLRC-IPKYDJNASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  45
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  144
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (2R,3R,4S,5R)-2-{2-(aminomethyl)-6-[(2,2-diphenylethyl)amino]-9H-purin-9-yl}-5-(methoxymethyl)tetrahydro-3,4-furandiol 、 三乙胺 、 苯乙酰氯 、 在 甲醇 、 氨 、 resultant mixture 、 sodium hydroxide 、 二氯甲烷 、 水 、 magnesium sulfate 、 1,4-二氧六环 作用下， 以 二氯甲烷 为溶剂， 反应 338.25h， 生成 N-{[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(methoxymethyl)tetrahydro-2-furanyl]-6-[(2,2-diphenylethyl)amino]-9H-purin-2-yl]methyl}-2-phenylacetamide
  参考文献：
  名称：

  Adenosine A2A receptor agonists as antiinflammatory agents

  摘要：

  本发明提供式(I)化合物及其药学上可接受的盐和溶剂化物，以及制备、含有、使用和制备这些具有A2a受体激动剂活性的化合物的中间体的过程。

  公开号：

  US06326359B1

文献信息

• Combination therapies
  申请人：Pfizer Inc

  公开号：US20040209916A1

  公开（公告）日：2004-10-21

  The invention is directed to methods of treating asthma, COPD, allergic rhinitis, and infectious rhinitis by administering a first pharmaceutical agent including one or more compounds selected from the quarternary ammonium compounds of formulae I-V and a second pharmaceutical agent including one or more pharmaceutical agents selected from Adenosine A 2a Receptor Agonists, D2-Dopamine Receptor Agonists, Phosphodiesterase Inhibitors (PDE's), corticosteroids, norepinephrine reuptake inhibitors, 4-hydroxy-7-[2-[2-[3-[2-phenylethoxy]-propylsulphonyl]ethylamino]ethyl]-1,3-benzothiazol-2(3H)-one, and pharmaceutically acceptable salts thereof, and non-quarternized antimuscarinic compounds.

  该发明涉及通过给予包括公式I-V的季铵化合物中选取的一个或多个化合物以及包括选自腺苷A2a受体激动剂、D2-多巴胺受体激动剂、磷酸二酯酶抑制剂（PDE's）、皮质类固醇、去甲肾上腺素再摄取抑制剂、4-羟基-7-[2-[2-[3-[2-苯乙氧基]-丙磺酰乙氨基]-乙基]-1,3-苯并噻唑-2(3H)-酮及其药用可接受的盐以及非季铵化的抗胆碱药物的第二药物，来治疗哮喘、COPD、过敏性鼻炎和感染性鼻炎的方法。
• 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。
• ADENINE DERIVATIVES
  申请人：Pfizer Limited

  公开号：EP1121372B1

  公开（公告）日：2006-06-28
• US6326359B1
  申请人：——

  公开号：US6326359B1

  公开（公告）日：2001-12-04
• Adenosine A2A receptor agonists as antiinflammatory agents
  申请人：Pfizer Inc

  公开号：US06326359B1

  公开（公告）日：2001-12-04

  The present invention provides compounds of formula (I): and pharmaceutically acceptable salts and solvates thereof, together with processes for the preparation of, compositions containing, uses of and intermediates used in the preparation of such compounds that have A2a receptor agonist activity.

  本发明提供式(I)化合物及其药学上可接受的盐和溶剂化物，以及制备、含有、使用和制备这些具有A2a受体激动剂活性的化合物的中间体的过程。