2-[6-(5-Chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid | 1337875-52-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 2-[6-(5-Chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
• CAS: 1337875-52-1
• 化学式: C₁₂H₇ClN₂O₂S₃
• 分子量: 342.851
• InChiKey: UOAGMKONDXWVFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  145
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-氯噻吩并[3,2-d]嘧啶 在 正丁基锂 、 乙醇 、 碘 、 三乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 为溶剂， 反应 16.0h， 生成 2-[6-(5-Chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
  参考文献：
  名称：

  Identification and SAR of a new series of thieno[3,2-d]pyrimidines as Tpl2 kinase inhibitors

  摘要：

  We report here the synthesis and SAR of a new series of thieno[3,2-d]pyrimidines as potent Tpl2 kinase inhibitors. The proposed binding mode suggests the potential flipped binding mode depending on the substitution. Biacore studies show evidence of binding of these molecules to the protein kinase. The kinome inhibition profile of these molecules suggests good selectivity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.069

文献信息

• Identification and SAR of a new series of thieno[3,2-d]pyrimidines as Tpl2 kinase inhibitors
  作者：Yike Ni、Ariamala Gopalsamy、Derek Cole、Yonghan Hu、Rajiah Denny、Manus Ipek、Julie Liu、Julie Lee、J. Perry Hall、Michael Luong、Jean-Baptiste Telliez、Lih-Ling Lin

  DOI：10.1016/j.bmcl.2011.07.069

  日期：2011.10

  We report here the synthesis and SAR of a new series of thieno[3,2-d]pyrimidines as potent Tpl2 kinase inhibitors. The proposed binding mode suggests the potential flipped binding mode depending on the substitution. Biacore studies show evidence of binding of these molecules to the protein kinase. The kinome inhibition profile of these molecules suggests good selectivity. (C) 2011 Elsevier Ltd. All rights reserved.