5-(2-(4-Bromobenzyloxy)benzylidene)-2-thioxothiazolidin-4-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(2-(4-Bromobenzyloxy)benzylidene)-2-thioxothiazolidin-4-one
• 英文别名: (5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• 化学式: C₁₇H₁₂BrNO₂S₂
• 分子量: 406.324
• InChiKey: HUAMPSOSNWEVFQ-DHDCSXOGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  95.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  罗丹宁 、 2-[(4-溴苄基)氧基]苯甲醛 在 ammonium acetate 、 溶剂黄146 作用下， 以 苯 为溶剂， 生成 5-(2-(4-Bromobenzyloxy)benzylidene)-2-thioxothiazolidin-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

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.