(2-(2-(2-(5-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)pentanamido)ethoxy)ethoxy)ethyl)glycine | 1009086-38-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: (2-(2-(2-(5-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)pentanamido)ethoxy)ethoxy)ethyl)glycine
• CAS: 1009086-38-7
• 化学式: C₂₀H₃₂N₆O₇
• 分子量: 468.51
• InChiKey: HGBFVDFXEBFIIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.57
• 重原子数：
  33.0
• 可旋转键数：
  16.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  158.71
• 氢给体数：
  3.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  (2-(2-(2-(5-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)pentanamido)ethoxy)ethoxy)ethyl)glycine 、 足球烯 、 2-(2-甲氧基乙氧基)乙醛 以 甲苯 为溶剂， 反应 5.0h， 以28%的产率得到
  参考文献：
  名称：

  Synthesis and anti-inflammation evaluation of new C60 fulleropyrrolidines bearing biologically active xanthine

  摘要：

  We designed and prepared the new C-60 fullerene hybrids bearing a xanthine moiety as potential double-action anti-inflammatory agents, capable of simultaneous inhibition of LPS-induced NO and TNF-alpha production. The 10 mu M of fulleropyrrolidine-xanthine dyad 2a and b were effective in suppressing LPS-induced NO production by 55.1 +/- 2.1% and 58.6 +/- 2.6%, respectively, but only 2b was also effectively in suppressing LPS-induced TNF-alpha production by 34.0 +/- 2.7%. We believed that the agents synthesized herein would hold promise for future development of a new generation of potent anti-inflammatory agents. (C) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.11.004
• 作为产物：
  描述：

  benzyl 3-((benzyloxy)carbonyl)-17-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-13-oxo-6,9-dioxa-3,12-diazaheptadecanoate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以91%的产率得到(2-(2-(2-(5-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)pentanamido)ethoxy)ethoxy)ethyl)glycine
  参考文献：
  名称：

  Synthesis and anti-inflammation evaluation of new C60 fulleropyrrolidines bearing biologically active xanthine

  摘要：

  We designed and prepared the new C-60 fullerene hybrids bearing a xanthine moiety as potential double-action anti-inflammatory agents, capable of simultaneous inhibition of LPS-induced NO and TNF-alpha production. The 10 mu M of fulleropyrrolidine-xanthine dyad 2a and b were effective in suppressing LPS-induced NO production by 55.1 +/- 2.1% and 58.6 +/- 2.6%, respectively, but only 2b was also effectively in suppressing LPS-induced TNF-alpha production by 34.0 +/- 2.7%. We believed that the agents synthesized herein would hold promise for future development of a new generation of potent anti-inflammatory agents. (C) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.11.004