4-chloro-2-(4-chlorobenzylthio)-5-(1,3,4-oxadiazol-2-yl)-N-(thien-2-ylcarbonyl)benzenesulfonamide | 1380545-65-2

• 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: 4-chloro-2-(4-chlorobenzylthio)-5-(1,3,4-oxadiazol-2-yl)-N-(thien-2-ylcarbonyl)benzenesulfonamide
• 英文别名: N-[4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylthiophene-2-carboxamide
• CAS: 1380545-65-2
• 化学式: C₂₀H₁₃Cl₂N₃O₄S₃
• 分子量: 526.445
• InChiKey: XHOIJQJPKHFHGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  164
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,4-dichloro-5-(carbazoyl)benzenesulfonamide 在 4-二甲氨基吡啶 、 四丁基溴化铵 、 potassium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 水 、 溶剂黄146 、 乙腈 为溶剂， 反应 42.0h， 生成 4-chloro-2-(4-chlorobenzylthio)-5-(1,3,4-oxadiazol-2-yl)-N-(thien-2-ylcarbonyl)benzenesulfonamide
  参考文献：
  名称：

  Synthesis and in vitro activity of novel 2-(benzylthio)-4-chloro-5-(1,3,4-oxadiazol-2-yl)benzenesulfonamide derivatives

  摘要：

  Two series of novel 4-chloro-2-(benzylthio)-5-(1,3,4-oxadiazol-2-yl)benzenesulfonamides and their -aroyl derivatives have been synthesized and evaluated for in vitro anticancer activity against the full NCI-60 cell line panel. Most of the compounds exhibited antiproliferative activity. Among them a compound bearing an -(thien-2-ylcarbonyl) moiety showed broad-spectrum activity with 50% growth inhibition (GI(50)) values in the range of 2.02-7.82 mu M over 50 cell lines..

  DOI：

  10.1007/s00706-012-0732-6

文献信息

• Synthesis and in vitro activity of novel 2-(benzylthio)-4-chloro-5-(1,3,4-oxadiazol-2-yl)benzenesulfonamide derivatives
  作者：Kamil Brożewicz、Jarosław Sławiński

  DOI：10.1007/s00706-012-0732-6

  日期：2012.6

  Two series of novel 4-chloro-2-(benzylthio)-5-(1,3,4-oxadiazol-2-yl)benzenesulfonamides and their -aroyl derivatives have been synthesized and evaluated for in vitro anticancer activity against the full NCI-60 cell line panel. Most of the compounds exhibited antiproliferative activity. Among them a compound bearing an -(thien-2-ylcarbonyl) moiety showed broad-spectrum activity with 50% growth inhibition (GI(50)) values in the range of 2.02-7.82 mu M over 50 cell lines..