3-(2,6-dimethyl-phenyl)-2-thioxo-thiazolidin-4-one | 93623-66-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(2,6-dimethyl-phenyl)-2-thioxo-thiazolidin-4-one
• 英文别名: 3-(2,6-Dimethyl-phenyl)-2-thioxo-thiazolidin-4-on；4-Thiazolidinone, 3-(2,6-dimethylphenyl)-2-thioxo-；3-(2,6-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
• CAS: 93623-66-6
• 化学式: C₁₁H₁₁NOS₂
• 分子量: 237.346
• InChiKey: JQRTZAYDWXGENM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  77.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2,6-dimethyl-phenyl)-2-thioxo-thiazolidin-4-one 、 4-[(4-甲酰基苯氧基)甲基]苯甲酸 在 ammonium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Design, synthesis and biological evaluation of 3-aryl-rhodanine benzoic acids as anti-apoptotic protein Bcl-2 inhibitors

  摘要：

  A new class of 3-aryl-rhodanine benzoic acid derivatives were designed, synthesized, and evaluated for their inhibition activities against anti-apoptotic Bcl-2 proteins. The potent compounds 33 and 41 bound to Bcl-2 with submicromolar K-i values and had selectivities to Bcl-2/Mcl-1 over Bcl-xL. In addition, they exhibited obvious antiproliferative activities in three human tumor cell lines (MDA-MB-231, K562 and PC-3). (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.09.051

文献信息

• Design, synthesis and biological evaluation of 3-aryl-rhodanine benzoic acids as anti-apoptotic protein Bcl-2 inhibitors
  作者：Huansheng Fu、Xuben Hou、Lei Wang、Yanyan Dun、Xinying Yang、Hao Fang

  DOI：10.1016/j.bmcl.2015.09.051

  日期：2015.11

  A new class of 3-aryl-rhodanine benzoic acid derivatives were designed, synthesized, and evaluated for their inhibition activities against anti-apoptotic Bcl-2 proteins. The potent compounds 33 and 41 bound to Bcl-2 with submicromolar K-i values and had selectivities to Bcl-2/Mcl-1 over Bcl-xL. In addition, they exhibited obvious antiproliferative activities in three human tumor cell lines (MDA-MB-231, K562 and PC-3). (C) 2015 Elsevier Ltd. All rights reserved.