2-(3-chlorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide | 1023290-04-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(3-chlorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide
• 英文别名: 2-(3-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
• CAS: 1023290-04-1
• 化学式: C₂₀H₁₅ClN₄O₃S
• 分子量: 426.883
• InChiKey: AGJUEHKKCLPMSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-chloro-N-[2-(5-methyl-furan-2-yl)-6-thiazol-2-yl-pyrimidin-4-yl]-acetamide 、 3-氯苯酚 在 四丁基碘化铵 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(3-chlorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide
  参考文献：
  名称：

  Synthesis of N-pyrimidinyl-2-phenoxyacetamides as adenosine A2A receptor antagonists

  摘要：

  A series of N-pyrimidinyl-2-phenoxyacetamide adenosine A(2A) antagonists is described. SAR studies led to compound 14 with excellent potency ( K-i = 0.4 nM), selectivity ( A(1)/A(2A) > 100), and efficacy ( MED 10 mg/ kg po) in the rat haloperidol- induced catalepsy model for Parkinson's disease. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.032

文献信息

• Synthesis of N-pyrimidinyl-2-phenoxyacetamides as adenosine A2A receptor antagonists
  作者：Xiaohu Zhang、Jaimie K. Rueter、Yongsheng Chen、Manisha Moorjani、Marion C. Lanier、Emily Lin、Raymond S. Gross、John E. Tellew、John P. Williams、Sandra M. Lechner、Stacy Markison、Tanya Joswig、Siobhan Malany、Mark Santos、Julio C. Castro-Palomino、Marı´a I. Crespo、Maria Prat、Silvia Gual、José-Luis Díaz、John Saunders、Deborah H. Slee

  DOI：10.1016/j.bmcl.2008.02.032

  日期：2008.3

  A series of N-pyrimidinyl-2-phenoxyacetamide adenosine A(2A) antagonists is described. SAR studies led to compound 14 with excellent potency ( K-i = 0.4 nM), selectivity ( A(1)/A(2A) > 100), and efficacy ( MED 10 mg/ kg po) in the rat haloperidol- induced catalepsy model for Parkinson's disease. (C) 2008 Elsevier Ltd. All rights reserved.