4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzaldehyde | 1181196-25-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzaldehyde
• CAS: 1181196-25-7
• 化学式: C₁₈H₁₇NO₃
• 分子量: 295.338
• InChiKey: QNOJOFGIHLKKAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,6-diamino-3-ethyl-1-(3-methoxypropyl)uracil 、 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzaldehyde 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis of novel 1-alkyl-8-substituted-3-(3-methoxypropyl) xanthines as putative A2B receptor antagonists

  摘要：

  In order to identify a high-affinity, selective antagonist for the A(2B) subtype adenosine receptor, more than 40 1,8-disubstituted-3-(3-methoxypropyl) xanthines were prepared and evaluated for their binding affinity at recombinant human adenosine receptors, mainly of the A(2A) and A(2B) subtypes. Some of the 1-ethyl-3-(3-methoxypropyl)-8-aryl substituted derivatives 15(a-m) showed moderate-to-high affinity at human A(2B) receptors, with compound 15d showing A(2B) selectivity over the other A receptors assayed (A(1), A(2A), A(3)) of 34-fold or over. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.03.029
• 作为产物：
  描述：

  四氢异喹啉 、 4-甲酰苯氧基乙酸 在 N,N'-二异丙基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.42h， 生成 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzaldehyde
  参考文献：
  名称：

  Synthesis of novel 1-alkyl-8-substituted-3-(3-methoxypropyl) xanthines as putative A2B receptor antagonists

  摘要：

  In order to identify a high-affinity, selective antagonist for the A(2B) subtype adenosine receptor, more than 40 1,8-disubstituted-3-(3-methoxypropyl) xanthines were prepared and evaluated for their binding affinity at recombinant human adenosine receptors, mainly of the A(2A) and A(2B) subtypes. Some of the 1-ethyl-3-(3-methoxypropyl)-8-aryl substituted derivatives 15(a-m) showed moderate-to-high affinity at human A(2B) receptors, with compound 15d showing A(2B) selectivity over the other A receptors assayed (A(1), A(2A), A(3)) of 34-fold or over. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.03.029