1-Deoxy-1-[6-[(2,2-diphenylethyl)amino]-2-[[2-(1H-imidazol-4-yl)ethyl]amino]-9H-purin-9-yl]-N-ethyl-2,3-O-(1-methylethylidene)-β-D-ribofuranuronamide | 167296-96-0

• 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: 1-Deoxy-1-[6-[(2,2-diphenylethyl)amino]-2-[[2-(1H-imidazol-4-yl)ethyl]amino]-9H-purin-9-yl]-N-ethyl-2,3-O-(1-methylethylidene)-β-D-ribofuranuronamide
• 英文别名: (3aR,4R,6S,6aS)-4-[6-(2,2-diphenylethylamino)-2-[2-(1H-imidazol-5-yl)ethylamino]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
• CAS: 167296-96-0
• 化学式: C₃₄H₃₉N₉O₄
• 分子量: 637.742
• InChiKey: UPURMEDZQLSQQQ-FFAHVWSXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  47
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  153
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  三氟乙酸 、 1-Deoxy-1-[6-[(2,2-diphenylethyl)amino]-2-[[2-(1H-imidazol-4-yl)ethyl]amino]-9H-purin-9-yl]-N-ethyl-2,3-O-(1-methylethylidene)-β-D-ribofuranuronamide 以 水 为溶剂， 生成
  参考文献：
  名称：

  The discovery and synthesis of highly potent, A 2a receptor agonists

  摘要：

  A series of N6,2-disubstituted adenosine analogues have been synthesized and their functional activity measured against A(2a) and A(1) receptors. Examples of compounds with both a lipophilic N6-substituent and amino-functionalized 2-position were highly active at the A(2a) receptor on the human neutrophil. (C) 2000 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00017-2
• 作为产物：
  描述：

  1-乙酰基-三-苄氧基-罗伯糖 在 氢氧化钾 、 potassium permanganate 、 氯化亚砜 、 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 二甲基亚砜 、 异丙醇 、 丙酮 为溶剂， 生成 1-Deoxy-1-[6-[(2,2-diphenylethyl)amino]-2-[[2-(1H-imidazol-4-yl)ethyl]amino]-9H-purin-9-yl]-N-ethyl-2,3-O-(1-methylethylidene)-β-D-ribofuranuronamide
  参考文献：
  名称：

  The discovery and synthesis of highly potent, A 2a receptor agonists

  摘要：

  A series of N6,2-disubstituted adenosine analogues have been synthesized and their functional activity measured against A(2a) and A(1) receptors. Examples of compounds with both a lipophilic N6-substituent and amino-functionalized 2-position were highly active at the A(2a) receptor on the human neutrophil. (C) 2000 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00017-2

文献信息

• 2-6-diaminopurine precursors
  申请人：Glaxo Group Limited

  公开号：US05889178A1

  公开（公告）日：1999-03-30

  The present invention relates to compounds of formula (IV): ##STR1## wherein R.sup.a and R.sup.b each represent a hydrogen atom or together form an alkylidene group.

  本发明涉及化合物的公式(IV)：##STR1##其中R.sup.a和R.sup.b分别代表氢原子或共同形成一个烷基亚烯基团。
• 2,6-DIAMINOPURINE DERIVATIVES
  申请人：GLAXO GROUP LIMITED

  公开号：EP0680488B1

  公开（公告）日：1998-04-08