((3aR,4R,6R,6aR)-6-(6-((2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethyl)amino)-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol | 1344118-03-1

• 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: ((3aR,4R,6R,6aR)-6-(6-((2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethyl)amino)-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol
• CAS: 1344118-03-1
• 化学式: C₂₁H₃₂N₈O₇
• 分子量: 508.534
• InChiKey: MEVFHVNJOOVSAP-WVSUBDOOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  36.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  180.0
• 氢给体数：
  2.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  ((3aR,4R,6R,6aR)-6-(6-((2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethyl)amino)-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol 在 偶氮二甲酸二异丙酯 、 三乙酰氧基硼氢化钠 、 一水合肼 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 水 、 1,2-二氯乙烷 为溶剂， 生成
  参考文献：
  名称：

  Facile synthesis of N-6 adenosine modified analogue toward S-adenosyl methionine derived probe for protein arginine methyltransferases

  摘要：

  Chemically modified cellular co-factors that provide function, such as immobilization or incorporation of fluorescent dyes, are valuable probes of biological activity. A convenient route to obtain S-adenosyl methionine (AdoMet) analogues modified at N-6 adenosine to feature a linker terminating in azide functionality is described herein. Subsequent decoration of such AdoMet analogues with guanidinium terminated linkers leads to novel potential bisubstrate inhibitors for protein arginine methyltransferases, PRMTs. (C) 2011 James Dowden. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2011.09.007
• 作为产物：
  描述：

  肌苷 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 对甲苯磺酸 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 ((3aR,4R,6R,6aR)-6-(6-((2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethyl)amino)-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol
  参考文献：
  名称：

  Facile synthesis of N-6 adenosine modified analogue toward S-adenosyl methionine derived probe for protein arginine methyltransferases

  摘要：

  Chemically modified cellular co-factors that provide function, such as immobilization or incorporation of fluorescent dyes, are valuable probes of biological activity. A convenient route to obtain S-adenosyl methionine (AdoMet) analogues modified at N-6 adenosine to feature a linker terminating in azide functionality is described herein. Subsequent decoration of such AdoMet analogues with guanidinium terminated linkers leads to novel potential bisubstrate inhibitors for protein arginine methyltransferases, PRMTs. (C) 2011 James Dowden. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2011.09.007