N-(4-(1H-imidazol-1-yl)phenyl)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbothioamide | 1289575-83-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(4-(1H-imidazol-1-yl)phenyl)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbothioamide
• CAS: 1289575-83-2
• 化学式: C₁₈H₁₄N₆OS
• 分子量: 362.415
• InChiKey: MKIHEQRNSHIDSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.52
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.34
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1-(4-isothiocyanatophenyl)-1H-imidazole 在 肼 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 6.0h， 生成 N-(4-(1H-imidazol-1-yl)phenyl)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbothioamide
  参考文献：
  名称：

  Isatin-β-thiosemicarbazones as potent herpes simplex virus inhibitors

  摘要：

  A series of isatin-beta-thiosemicarbazones have been designed and evaluated for antiviral activity against herpes simplex virus type 1 (HSV-1) and type 2 (HSV-2) in a plaque reduction assay. Their cytotoxicity was examined using human rhabdomyosarcoma cells (RD cells). Several derivatives of isatin-beta-thiosemicarbazone exhibited significant and selective antiviral activity with low cytotoxicity. It was found that the thiourea group at thiosemicarbazone and the NH functionality at isatin were essential for their anti-herpetic activity. The synthesis and structure-activity relationship studies are presented. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.037