6-[(2,2-diphenylethyl)amino]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-9H-purine-2-carboxylic acid | 380222-60-6

• 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: 6-[(2,2-diphenylethyl)amino]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-9H-purine-2-carboxylic acid
• 英文别名: 6-[(2,2-diphenylethyl)amino]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furyl}-9H-purine-2-carboxylic acid；6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purine-2-carboxylic acid
• CAS: 380222-60-6
• 化学式: C₂₇H₂₈N₆O₆
• 分子量: 532.556
• InChiKey: MNSONQQTGCVNJV-KKPNIWNPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  172
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  6-[(2,2-diphenylethyl)amino]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-9H-purine-2-carboxylic acid 、 N-甲基乙二胺 生成
  参考文献：
  名称：

  SAR of a series of inhaled A2A agonists and comparison of inhaled pharmacokinetics in a preclinical model with clinical pharmacokinetic data

  摘要：

  COPD is a major cause of mortality in the western world. A(2A) agonists are postulated to reduce the lung inflammation that causes COPD. The cardiovascular effects of A(2A) agonists dictate that a compound needs to be delivered by inhalation to be therapeutically useful. The pharmacological and pharmacokinetic SAR of a series of inhaled A(2A) agonists is described leading through to human pharmacokinetic data for a clinical candidate. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.027
• 作为产物：
  描述：

  Methyl 6-[(2,2-diphenylethyl)amino]-9-{(2R,3R,4S,5S)-5-[(ethylamino) carbonyl]-3,4-dihydroxytetra-hydro-2-furanyl}-9H-purine-2-carboxylate 在 sodium carbonate 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 6-[(2,2-diphenylethyl)amino]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-9H-purine-2-carboxylic acid
  参考文献：
  名称：

  SAR of a series of inhaled A2A agonists and comparison of inhaled pharmacokinetics in a preclinical model with clinical pharmacokinetic data

  摘要：

  COPD is a major cause of mortality in the western world. A(2A) agonists are postulated to reduce the lung inflammation that causes COPD. The cardiovascular effects of A(2A) agonists dictate that a compound needs to be delivered by inhalation to be therapeutically useful. The pharmacological and pharmacokinetic SAR of a series of inhaled A(2A) agonists is described leading through to human pharmacokinetic data for a clinical candidate. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.027

文献信息

• 2-aminocarbonyl-9H-purine derivatives
  申请人：——

  公开号：US20020058641A1

  公开（公告）日：2002-05-16

  The present invention relates to compounds of the formula. 1 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.

  本发明涉及公式.1的化合物及其药学上可接受的盐和溶剂化物，以及制备这些化合物所使用的中间体、含有这些化合物的组合物的制备方法和用途。
• 2-Aminocarbonyl-9H-purine derivatives
  申请人：Pfizer Inc

  公开号：US20040077584A1

  公开（公告）日：2004-04-22

  The present invention relates to compounds of the formula: 1 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.

  本发明涉及公式1的化合物：1及其药学上可接受的盐和溶剂，以及制备这些化合物的中间体、含有这些化合物的组合物的制备过程和用途。
• 2-AMINOCARBONYL-9H-PURINE DERIVATIVES
  申请人：Pfizer Limited

  公开号：EP1292604A1

  公开（公告）日：2003-03-19
• US6753322B2
  申请人：——

  公开号：US6753322B2

  公开（公告）日：2004-06-22
• US7094769B2
  申请人：——

  公开号：US7094769B2

  公开（公告）日：2006-08-22