4-(Furan-2-yl)-2-sulfanylidene-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile | 120517-55-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(Furan-2-yl)-2-sulfanylidene-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile
• CAS: 120517-55-7
• 化学式: C₁₅H₁₄N₂OS
• 分子量: 270.355
• InChiKey: AYNVOJACHYKVQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  81
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-溴乙酰胺 、 4-(Furan-2-yl)-2-sulfanylidene-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 3-amino-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[e]thieno[2,3-b]pyridine-2-carboxamide
  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
• 作为产物：
  描述：

  2-氰基硫代乙酰胺 、 cyclohept-1-en-1-yl(furan-2-yl)methanone 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 4-(Furan-2-yl)-2-sulfanylidene-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile
  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