cis-(2R,3R,4S,5R)-2-(6-[(2,2-diphenylethyl)amino]-2-{[(4-isopropylcyclohexyl)amino]methyl}-9H-purin-9-yl)-5-(methoxymethyl)tetrahydro-3,4-furandiol

• 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: cis-(2R,3R,4S,5R)-2-(6-[(2,2-diphenylethyl)amino]-2-{[(4-isopropylcyclohexyl)amino]methyl}-9H-purin-9-yl)-5-(methoxymethyl)tetrahydro-3,4-furandiol
• 英文别名: (2R,3R,4S,5R)-2-[6-(2,2-diphenylethylamino)-2-[[(4-propan-2-ylcyclohexyl)amino]methyl]purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol
• 化学式: C₃₅H₄₆N₆O₄
• 分子量: 614.788
• InChiKey: LOTIQCZKOBPAIF-FELFGLOESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  45
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  127
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-异丙基环己酮 、 (2R,3R,4S,5R)-2-{2-(aminomethyl)-6-[(2,2-diphenylethyl)amino]-9H-purin-9-yl}-5-(methoxymethyl)tetrahydro-3,4-furandiol 在 碳酸氢钠 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 生成 cis-(2R,3R,4S,5R)-2-(6-[(2,2-diphenylethyl)amino]-2-{[(4-isopropylcyclohexyl)amino]methyl}-9H-purin-9-yl)-5-(methoxymethyl)tetrahydro-3,4-furandiol
  参考文献：
  名称：

  Adenosine A2A receptor agonists as antiinflammatory agents

  摘要：

  本发明提供了式(I)的化合物： 以及其药学上可接受的盐和溶剂合物，以及用于制备、含有、使用和制备此类具有A2a受体激动剂活性的化合物的中间体的方法。

  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。
• Adenosine a2a receptor agonist and an anticholinergic agent in combination for treating obstructive airways diseases
  申请人：——

  公开号：US20040171576A1

  公开（公告）日：2004-09-02

  The present invention relates to a combination of a selective adenosine A 2a receptor agonist and an anticholinergic agent for simultaneous, sequential or separate administration by the inhaled route in the treatment of an obstructive airways or other inflammatory disease, with the proviso that the anticholinergic agent is not a tiotropium salt.

  本发明涉及一种选择性腺苷 A 2a 受体激动剂和抗胆碱能药物的组合，用于同时、连续或单独通过吸入途径给药，治疗阻塞性气道或其他炎症性疾病，但抗胆碱能药物不是噻托溴铵盐。
• ADENINE DERIVATIVES
  申请人：Pfizer Limited

  公开号：EP1121372A1

  公开（公告）日：2001-08-08
• AN ADENOSINE A2A RECEPTOR AGONIST AND AN ANTICHOLINERGIC AGENT IN COMBINATION FOR TREATING OBSTRUCTIVE AIRWAYS DISEASES
  申请人：PFIZER INC.

  公开号：EP1395287A1

  公开（公告）日：2004-03-10
• METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY
  申请人：Northeastern University

  公开号：EP2608794A1

  公开（公告）日：2013-07-03