2-[5-(3,4,5-Trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-1,2-benzoselenazol-3-one | 1374152-13-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[5-(3,4,5-Trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-1,2-benzoselenazol-3-one
• CAS: 1374152-13-2
• 化学式: C₁₈H₁₅N₃O₄SSe
• 分子量: 448.361
• InChiKey: HBXNSZUHNXKHTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.59
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  双（2-羧基苯基）二硒化物 在 氯化亚砜 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 生成 2-[5-(3,4,5-Trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-1,2-benzoselenazol-3-one
  参考文献：
  名称：

  Synthesis and antitumor-evaluation of 1,3,4-thiadiazole-containing benzisoselenazolone derivatives

  摘要：

  A series of novel 1,3,4-thiadiazole-containing benzisoselenazolone derivatives were prepared by the condensation of 2-chloroselenobenzoyl chloride and 2-amino-5-substituted-1,3,4-thiadiazole. Their in vitro antiproliferative activities were evaluated in SSMC-7721, MCF-7 and A-549 cells. The results suggest that, in different tumor cells, some compounds have good antiproliferative activity, certain selectivity and potential value of further research. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.043

文献信息

• Synthesis and antitumor-evaluation of 1,3,4-thiadiazole-containing benzisoselenazolone derivatives
  作者：Zhenhua Luo、Baoquan Chen、Shuangyan He、Yanping Shi、Yuming Liu、Caiwen Li

  DOI：10.1016/j.bmcl.2012.03.043

  日期：2012.5

  A series of novel 1,3,4-thiadiazole-containing benzisoselenazolone derivatives were prepared by the condensation of 2-chloroselenobenzoyl chloride and 2-amino-5-substituted-1,3,4-thiadiazole. Their in vitro antiproliferative activities were evaluated in SSMC-7721, MCF-7 and A-549 cells. The results suggest that, in different tumor cells, some compounds have good antiproliferative activity, certain selectivity and potential value of further research. (C) 2012 Elsevier Ltd. All rights reserved.