N-((2,4-dimethoxybenzyl)(furan-2-ylmethyl)carbamothioyl)furan-2-carboxamide | 1120312-76-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-((2,4-dimethoxybenzyl)(furan-2-ylmethyl)carbamothioyl)furan-2-carboxamide
• CAS: 1120312-76-6
• 化学式: C₂₀H₂₀N₂O₅S
• 分子量: 400.455
• InChiKey: QSURAJQBBUIYQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.61
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  77.08
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-((2,4-dimethoxybenzyl)(furan-2-ylmethyl)carbamothioyl)furan-2-carboxamide 在 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 (4-(furan-2-yl)-2-((furan-2-ylmethyl)(methyl)amino)thiazol-5-yl)(phenyl)methanone
  参考文献：
  名称：

  Synthesis of 2-amino-5-benzoyl-4-(2-furyl)thiazoles as adenosine A2A receptor antagonists

  摘要：

  The discovery and synthesis of a series of 2-amino-5-benzoyl-4-(2-furyl)thiazoles as adenosine A(2A) receptor antagonists from a small-molecule combinatorial library using a high-throughput radioligand-binding assay is described. Antagonists were further characterized in the A(2A) binding assay and an A(1) selectivity assay. Selected examples exhibited excellent affinity for A(2A) and good selectivity versus the A(1) receptor. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.066
• 作为产物：
  描述：

  [(2,4-dimethoxyphenyl)methyl](furan-2-ylmethyl)amine 、 2-异硫氰酸呋喃酯 以 二氯甲烷 为溶剂， 生成 N-((2,4-dimethoxybenzyl)(furan-2-ylmethyl)carbamothioyl)furan-2-carboxamide
  参考文献：
  名称：

  Synthesis of 2-amino-5-benzoyl-4-(2-furyl)thiazoles as adenosine A2A receptor antagonists

  摘要：

  The discovery and synthesis of a series of 2-amino-5-benzoyl-4-(2-furyl)thiazoles as adenosine A(2A) receptor antagonists from a small-molecule combinatorial library using a high-throughput radioligand-binding assay is described. Antagonists were further characterized in the A(2A) binding assay and an A(1) selectivity assay. Selected examples exhibited excellent affinity for A(2A) and good selectivity versus the A(1) receptor. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.066