(2S,3S,4R,5R)-5-{2-{[(Benzylsulfonyl)amino]methyl}-6-[(2,2-diphenylethyl)amino]-9H-purin-9-yl}-N-ethyl-3,4dihydroxytetrahydro-2-furancarboxamide

• 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: (2S,3S,4R,5R)-5-{2-{[(Benzylsulfonyl)amino]methyl}-6-[(2,2-diphenylethyl)amino]-9H-purin-9-yl}-N-ethyl-3,4dihydroxytetrahydro-2-furancarboxamide
• 英文别名: (2S,3S,4R,5R)-5-[2-[(benzylsulfonylamino)methyl]-6-(2,2-diphenylethylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
• 化学式: C₃₄H₃₇N₇O₆S
• 分子量: 671.8
• InChiKey: NQMRDPMYCWRHEZ-CTMYTVLESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  48
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  189
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  (3aS,4S,6R,6aR)-6-{2-(aminomethyl)-6-[(2,2-diphenylethyl)amino]-9H-purin-9-yl}-N-ethyl-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide 、 三乙胺 、 苄磺酰氯 在 乙醇 、 盐酸 、 silica gel 、 methanol-dichloromethane 、 乙醚 、 正戊烷 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 以to afford the title compound as a white solid (92 mg)的产率得到(2S,3S,4R,5R)-5-{2-{[(Benzylsulfonyl)amino]methyl}-6-[(2,2-diphenylethyl)amino]-9H-purin-9-yl}-N-ethyl-3,4dihydroxytetrahydro-2-furancarboxamide
  参考文献：
  名称：

  Purine derivatives

  摘要：

  本发明涉及公式化合物及其药学上可接受的盐和溶剂化物，制备过程中使用的中间体，以及含有此类化合物的组合物和将此类化合物用作腺苷A2a受体激动剂的用途。

  公开号：

  US06448236B1

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。
• PURINE DERIVATIVES
  申请人：Pfizer Limited

  公开号：EP1220862B1

  公开（公告）日：2006-03-22
• COMBINATION OF AN ADENOSINE A2A-RECEPTOR AGONIST AND TIOTROPIUM OR A DERIVATIVE THEREOF FOR TREATING OBSTRUCTIVE AIRWAYS
  申请人：Boehringer Ingelheim Pharma GmbH & Co.KG

  公开号：EP1397140A2

  公开（公告）日：2004-03-17
• US6448236B1
  申请人：——

  公开号：US6448236B1

  公开（公告）日：2002-09-10
• [EN] COMBINATION OF AN ADENOSINE A2A-RECEPTOR AGONIST AND TIOTROPIUM OR A DERIVATIVE THEREOF FOR TREATING OBSTRUCTIVE AIRWAYS AND OTHER INFLAMMATORY DISEASES<br/>[FR] COMBINAISON D'AGONISTE VIS-A-VIS DU RECEPTEUR DE L'ADENOSINE A2A-ET DE TIOTROPIUM OU DE DERIVE DE CETTE SUBSTANCE, POUR LE TRAITEMENT DE L'OBSTRUCTION DES VOIES RESPIRATOIRES ET D'AUTRES MALADIES INFLAMMATOIRES
  申请人：BOEHRINGER INGELHEIM PHARMA

  公开号：WO2002094273A2

  公开（公告）日：2002-11-28

  A combination of therapeutic agents useful in the treatment of obstructive airways and other inflammatory diseases comprising (i) an adenosine A2 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.