N-[5-(Morpholin-4-yl)-2-oxo-2,3-dihydro-1H-indol-6-yl]acetamide | 925702-41-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-[5-(Morpholin-4-yl)-2-oxo-2,3-dihydro-1H-indol-6-yl]acetamide
• 英文别名: N-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)acetamide
• CAS: 925702-41-6
• 化学式: C₁₄H₁₇N₃O₃
• 分子量: 275.307
• InChiKey: BBWDGWXNZPKQFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  糠醛 、 N-[5-(Morpholin-4-yl)-2-oxo-2,3-dihydro-1H-indol-6-yl]acetamide 在 吡啶 作用下， 生成 N-(3-(furan-2-ylmethylene)-5-morpholino-2-oxoindolin-6-yl)acetamide
  参考文献：
  名称：

  Identification of 3,5,6-substituted indolin-2-one’s inhibitors of Aurora B by development of a luminescent kinase assay

  摘要：

  Aurora B kinase plays an important role in the cell normal mitosis and overexpresses in a variety of tumors. Inhibition of Aurora B kinase resulted in an apoptosis of cancer cells, which prevented tumor growth in xenograft models. In this Letter, we developed a luminescent kinase assay to perform high-throughput screening for identification of small molecule Aurora B inhibitors. Two 3,5,6-substituted indolin-2-one derivatives were identified within an in-house compound library. Their new derivatives were then designed and synthesized that resulting two new inhibitors of Aurora B kinase with improved potency. Docking simulation further demonstrated the proposed binding modes between indolin-2-one inhibitor and Aurora B. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.05.043

文献信息

• Identification of 3,5,6-substituted indolin-2-one’s inhibitors of Aurora B by development of a luminescent kinase assay
  作者：Leilei Zhang、Tianming Yang、Xilei Xie、Gang Liu

  DOI：10.1016/j.bmcl.2015.05.043

  日期：2015.8

  Aurora B kinase plays an important role in the cell normal mitosis and overexpresses in a variety of tumors. Inhibition of Aurora B kinase resulted in an apoptosis of cancer cells, which prevented tumor growth in xenograft models. In this Letter, we developed a luminescent kinase assay to perform high-throughput screening for identification of small molecule Aurora B inhibitors. Two 3,5,6-substituted indolin-2-one derivatives were identified within an in-house compound library. Their new derivatives were then designed and synthesized that resulting two new inhibitors of Aurora B kinase with improved potency. Docking simulation further demonstrated the proposed binding modes between indolin-2-one inhibitor and Aurora B. (C) 2015 Elsevier Ltd. All rights reserved.