5-溴-2-((2-氯苄基)氧基)苯甲醛 | 428462-38-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 5-溴-2-((2-氯苄基)氧基)苯甲醛
• 英文名称: 5-Bromo-2-[(2-chlorobenzyl)oxy]benzaldehyde
• 英文别名: 5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
• CAS: 428462-38-8
• 化学式: C₁₄H₁₀BrClO₂
• mdl: MFCD02257429
• 分子量: 325.589
• InChiKey: KSQWNQYGMMPIHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  罗丹宁 、 5-溴-2-((2-氯苄基)氧基)苯甲醛 在 ammonium acetate 、 溶剂黄146 作用下， 以 苯 为溶剂， 生成 (Z)-5-[5-bromo-2-(2-chloro-benzyloxy)-benzylidene]-2-thioxo-thiazolidin-4-one
  参考文献：
  名称：

  Synthesis and biological evaluation of rhodanine derivatives as PRL-3 inhibitors

  摘要：

  A series of rhodanine derivatives was synthesized and evaluated for their ability to inhibit PRL-3. Benzylidene rhodanine derivative showed good biological activity, while compound 5e was the most active in this series exhibiting IC50 value of 0.9 mu M in vitro and showed a reduced invasion in cell-based assay. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.060
• 作为产物：
  描述：

  2-氯苄溴 、 5-溴水杨醛 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 生成 5-溴-2-((2-氯苄基)氧基)苯甲醛
  参考文献：
  名称：

  Synthesis and biological evaluation of rhodanine derivatives as PRL-3 inhibitors

  摘要：

  A series of rhodanine derivatives was synthesized and evaluated for their ability to inhibit PRL-3. Benzylidene rhodanine derivative showed good biological activity, while compound 5e was the most active in this series exhibiting IC50 value of 0.9 mu M in vitro and showed a reduced invasion in cell-based assay. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.060

文献信息

• Synthesis and biological evaluation of rhodanine derivatives as PRL-3 inhibitors
  作者：Jin Hee Ahn、Seung Jun Kim、Woul Seong Park、Sung Yun Cho、Jae Du Ha、Sung Soo Kim、Seung Kyu Kang、Dae Gwin Jeong、Suk-Kyeong Jung、Sang-Hyeup Lee、Hwan Mook Kim、Song Kyu Park、Ki Ho Lee、Chang Woo Lee、Seong Eon Ryu、Joong-Kwon Choi

  DOI：10.1016/j.bmcl.2006.02.060

  日期：2006.6

  A series of rhodanine derivatives was synthesized and evaluated for their ability to inhibit PRL-3. Benzylidene rhodanine derivative showed good biological activity, while compound 5e was the most active in this series exhibiting IC50 value of 0.9 mu M in vitro and showed a reduced invasion in cell-based assay. (c) 2006 Elsevier Ltd. All rights reserved.