(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 | 167298-55-7

• 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-carbonyl chloride
• CAS: 167298-55-7
• 化学式: C₂₇H₂₅Cl₂N₅O₄
• 分子量: 554.433
• InChiKey: RVPOLOVCRHGPFB-FBROZUCGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.91
• 重原子数：
  38.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  100.39
• 氢给体数：
  1.0
• 氢受体数：
  9.0

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-carbonyl chloride 以 二氯甲烷 、 水 、 二甲基亚砜 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 、 异丙醇 、 丙酮 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-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