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-methyl-1-propanesulfonamide

• 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-methyl-1-propanesulfonamide
• 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-methylpropane-1-sulfonamide
• 化学式: C₃₀H₃₈N₆O₆S
• 分子量: 610.7
• InChiKey: JZFHOSQIJHUYFV-WFCSWSGSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  43
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  169
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  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-methyl-1-propanesulfonamide 、 、 氢氧化钾 在 异丙醇 作用下， 以 异丙醇 为溶剂， 反应 1.0h， 以This gave the title compound (1.5 g) as a white crystalline solid m.p. 231° C.的产率得到Potassium 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-methyl-1-propanesulfamate
  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
• 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 、 2-甲基丙烷磺酰氯 、 三乙胺 在 氮气 、 silica gel 、 methanol-dichloromethane 作用下， 以 四氢呋喃 为溶剂， 反应 23.0h， 以to give the product as a foam (117 mg)的产率得到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-methyl-1-propanesulfonamide
  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 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：EP1121372A1

  公开（公告）日：2001-08-08
• US6326359B1
  申请人：——

  公开号：US6326359B1

  公开（公告）日：2001-12-04
• [EN] ADENINE DERIVATIVES<br/>[FR] DERIVES D'ADENINE
  申请人：PFIZER LTD

  公开号：WO2000023457A1

  公开（公告）日：2000-04-27

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts and solvates thererof, together with processes for the preparation of, compositions containing, uses of and intermediates used in the preparation of, such compounds that have adenosine A2 a receptor agonist activity.
• [EN] NEW METHOD OF BRONCHODILATORY THERAPY<br/>[FR] NOUVELLE METHODE DE TRAITEMENT BRONCHODILATATEUR
  申请人：GLAXO GROUP LTD

  公开号：WO2002067909A1

  公开（公告）日：2002-09-06

  As a first aspect of the invention we provide a method of inducing bronchodilation in a human patient which comprises administering to that patient an effective amount of a selective A2a receptor agonist.