(Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(selenophen-2-ylmethylene)indolin-2-one | 1162189-83-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: (Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(selenophen-2-ylmethylene)indolin-2-one
• 英文别名: (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(selenophen-2-ylmethylidene)-1H-indol-2-one
• CAS: 1162189-83-4
• 化学式: C₂₀H₁₅NO₃Se
• 分子量: 396.304
• InChiKey: ANORBUDZBBHHEW-WJDWOHSUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.62
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-甲酰硒酚 、 6-(4-hydroxy-3-methoxyphenyl)indolin-2-one 在 哌啶 作用下， 以 乙醇 为溶剂， 生成 (Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(selenophen-2-ylmethylene)indolin-2-one
  参考文献：
  名称：

  Synthesis of selenophene derivatives as novel CHK1 inhibitors

  摘要：

  A series of selenophene derivatives 3 were synthesized as potential CHK1 inhibitors. The effects of substitution on the 4'- or 5'-position of selenophene moiety and shifting the hydroxyl group position on C6-phenolic ring of oxindole were explored. This study led to the discovery of the most potent CHK1 inhibitors 29-33 and 39-43, which had IC(50) values in the subnanomolar range. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.034

文献信息

• PROTEIN KINASE INHIBITORS
  申请人：Hong Pao-Chiung

  公开号：US20090163494A1

  公开（公告）日：2009-06-25

  This invention relates to selenophene compounds of formula (I) shown below: Each variable in formula (I) is defined in the specification. These compounds can be used to treat cancer.

  本发明涉及以下式子（I）所示的硒杂苯化合物：式子（I）中的每个变量在规范中有定义。这些化合物可用于治疗癌症。
• Synthesis of selenophene derivatives as novel CHK1 inhibitors
  作者：Pao-Chiung Hong、Li-Jung Chen、Tzu-Yun Lai、Huei-Yu Yang、Shih-Jan Chiang、Yann-Yu Lu、Ping-Kuei Tsai、Hung-Yi Hsu、Win-Yin Wei、Chu-Bin Liao

  DOI：10.1016/j.bmcl.2010.07.034

  日期：2010.9

  A series of selenophene derivatives 3 were synthesized as potential CHK1 inhibitors. The effects of substitution on the 4'- or 5'-position of selenophene moiety and shifting the hydroxyl group position on C6-phenolic ring of oxindole were explored. This study led to the discovery of the most potent CHK1 inhibitors 29-33 and 39-43, which had IC(50) values in the subnanomolar range. (C) 2010 Elsevier Ltd. All rights reserved.