(3AS,4S,6R,6AR)-6-[2-chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid | 167298-17-1

• 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: (3AS,4S,6R,6AR)-6-[2-chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid
• 英文别名: 1-[2-chloro-6-[(2,2-diphenylethyl)amino]-9H-purin-9-yl]-1-deoxy-2,3-O-(1-methylethylidene)-β-D-ribofuranuronic acid；(3aS,4S,6R,6aR)-6-[2-chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid；(3aR,4R,6S,6aS)-4-[2-chloro-6-(2,2-diphenylethylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
• CAS: 167298-17-1
• 化学式: C₂₇H₂₆ClN₅O₅
• 分子量: 535.987
• InChiKey: MLIQNIZEXDTMLL-SEDAZVQISA-N

物化性质

• 沸点：
  761.5±70.0 °C(predicted)
• 密度：
  1.52±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (3AS,4S,6R,6AR)-6-[2-chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid 在 氯化亚砜 作用下， 生成 (3aS,4S,6R,6aR)-6-[2-Chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carbonyl chloride
  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：

  2',3',5'-三乙酰鸟苷 在 氢氧化钾 、 potassium permanganate 、 亚硝酸特丁酯 、 四乙基氯化铵 、 吡啶盐酸盐 、 sodium carbonate 、 N,N-二甲基苯胺 、 N,N-二异丙基乙胺 、 copper(l) chloride 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 异丙醇 、 丙酮 、 乙腈 为溶剂， 生成 (3AS,4S,6R,6AR)-6-[2-chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid
  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-(purin-9-yl)-tetrahydrofuran-3, 4-diol derivatives
  申请人：Smithkline Beecham Corporation

  公开号：US06610665B1

  公开（公告）日：2003-08-26

  There are disclosed according to the invention, compounds of formula (I) wherein R1, R2 and R3 are defined in the specification. Additionally, processes of preparing the compounds of formula (I), formulations containing same, and the administration of said compounds or formulations thereof in the treatment of inflammatory diseases are also disclosed.

  根据该发明，公开了式（I）化合物，其中R1、R2和R3在规范中定义。此外，还公开了制备式（I）化合物的方法、含有该化合物的配方，以及在治疗炎症性疾病中使用该化合物或配方的方法。
• 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-(purin-9-yl)-tetrahydrofuran-3,4-diol derivatives
  申请人：SmithKlineBeecham Corporation

  公开号：US06762170B1

  公开（公告）日：2004-07-13

  There are provided according to the invention, novel compounds of formula (I) wherein R1, R2 and R3 are as described in the specification, processes for preparing them, formulations containing them and their use in therapy for the treatment of inflammatory disease.

  根据本发明提供了一种新的化合物，其化学式为(I)，其中R1、R2和R3如说明书所述，还提供了制备它们的方法、含有它们的配方以及它们在治疗炎症性疾病方面的应用。
• 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES
  申请人：GLAXO GROUP LIMITED

  公开号：EP1051425B1

  公开（公告）日：2002-10-30
• 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES
  申请人：GLAXO GROUP LIMITED

  公开号：EP1090020B1

  公开（公告）日：2003-11-05