8-((E)-1-Methyl-2-thiophen-3-yl-vinyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione | 1026461-36-8

• 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: 8-((E)-1-Methyl-2-thiophen-3-yl-vinyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
• 英文别名: 1,3-dipropyl-8-[(E)-1-thiophen-3-ylprop-1-en-2-yl]-7H-purine-2,6-dione
• CAS: 1026461-36-8
• 化学式: C₁₈H₂₂N₄O₂S
• 分子量: 358.464
• InChiKey: NFZKORBJZFGHDM-ZRDIBKRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  97.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-((E)-1-Methyl-2-thiophen-3-yl-vinyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione 、 碘甲烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以92%的产率得到7-Methyl-8-((E)-1-methyl-2-thiophen-3-yl-vinyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
  参考文献：
  名称：

  (E)-1-(Heterocyclyl or cyclohexyl)-2-[1,3,7-trisubstituted (xanthin-8-yl)] ethenes as A2a adenosine receptor antagonists

  摘要：

  Some 1,3,7-trisubstituted-8-styrylxanthine analogues, with the aryl group replaced by a heterocycle or cyclohexane ring, were prepared and evaluated for their interaction with the A(1) and A(2a) adenosine receptors. The highest degree of activity was displayed by the 1,3-dipropyl-7-methyl-8-[2-(3-thienyl)ethenyl]xanthine 4cdi, which was found to be a potent and selective A(2a) antagonist in binding assays (K-i = 19 nM, A(1)/A(2a) ratio = 30).

  DOI：

  10.1016/s0223-5234(96)80007-9
• 作为产物：
  描述：

  (E)-2-甲基-3-(3-噻吩基)-2-丙烯酸 在 sodium hydroxide 、 对甲苯磺酸 、 N,N'-二环己基碳二亚胺 作用下， 以 吡啶 、 乙醇 为溶剂， 反应 2.0h， 生成 8-((E)-1-Methyl-2-thiophen-3-yl-vinyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
  参考文献：
  名称：

  (E)-1-(Heterocyclyl or cyclohexyl)-2-[1,3,7-trisubstituted (xanthin-8-yl)] ethenes as A2a adenosine receptor antagonists

  摘要：

  Some 1,3,7-trisubstituted-8-styrylxanthine analogues, with the aryl group replaced by a heterocycle or cyclohexane ring, were prepared and evaluated for their interaction with the A(1) and A(2a) adenosine receptors. The highest degree of activity was displayed by the 1,3-dipropyl-7-methyl-8-[2-(3-thienyl)ethenyl]xanthine 4cdi, which was found to be a potent and selective A(2a) antagonist in binding assays (K-i = 19 nM, A(1)/A(2a) ratio = 30).

  DOI：

  10.1016/s0223-5234(96)80007-9

文献信息

• (E)-1-(Heterocyclyl or cyclohexyl)-2-[1,3,7-trisubstituted (xanthin-8-yl)] ethenes as A2a adenosine receptor antagonists
  作者：MR Del Giudice、A Borioni、C Mustazza、F Gatta、S Dionisotti、C Zocchi、E Ongini

  DOI：10.1016/s0223-5234(96)80007-9

  日期：1996.1

  Some 1,3,7-trisubstituted-8-styrylxanthine analogues, with the aryl group replaced by a heterocycle or cyclohexane ring, were prepared and evaluated for their interaction with the A(1) and A(2a) adenosine receptors. The highest degree of activity was displayed by the 1,3-dipropyl-7-methyl-8-[2-(3-thienyl)ethenyl]xanthine 4cdi, which was found to be a potent and selective A(2a) antagonist in binding assays (K-i = 19 nM, A(1)/A(2a) ratio = 30).