4-bromo-5-methylselenophene-2-carbaldehyde | 1246956-97-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-bromo-5-methylselenophene-2-carbaldehyde
• CAS: 1246956-97-7
• 化学式: C₆H₅BrOSe
• 分子量: 251.969
• InChiKey: QTKXKSXFMWIHQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.63
• 重原子数：
  9.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  5-甲基-2-甲酰基硒吩 在 aluminum (III) chloride 、 溴 作用下， 以86%的产率得到4-bromo-5-methylselenophene-2-carbaldehyde
  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