Methyl 5-(6-amino-5-carbamoyl-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraen-8-yl)-3-methylfuran-2-carboxylate | 1226794-95-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: Methyl 5-(6-amino-5-carbamoyl-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraen-8-yl)-3-methylfuran-2-carboxylate
• CAS: 1226794-95-1
• 化学式: C₂₁H₂₃N₃O₄S
• 分子量: 413.497
• InChiKey: ZRQQPRIJTHNAKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  150
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-溴乙酰胺 、 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 Methyl 5-(6-amino-5-carbamoyl-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraen-8-yl)-3-methylfuran-2-carboxylate
  参考文献：
  名称：

  Inhibition of eEF2-K by thieno[2,3-b]pyridine analogues

  摘要：

  Several series of thieno[2-3-b]pyridine analogues were synthesized and screened for inhibitory activity against eukaryotic elongation factor-2 kinase (eEF2-K). Modifications around several regions of the lead molecules were made, with a ring fusion adjacent to the nitrogen on the thienopyridine core being critical for activity. The most active compound 34 shows an IC(50) of 170 nM against eEF2-K in vitro. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.005