(9ci)-2-(甲基硫代)-1H-苯并咪唑-4,7-二酮 | 310461-58-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: (9ci)-2-(甲基硫代)-1H-苯并咪唑-4,7-二酮
• 英文名称: 2-(Methylthio)-4,7-dihydro-1H-benzimidazole-4,7-dione
• 英文别名: 2-methylsulfanyl-1H-benzimidazole-4,7-dione
• CAS: 310461-58-6
• 化学式: C₈H₆N₂O₂S
• mdl: MFCD02253131
• 分子量: 194.214
• InChiKey: YQMNCEKVLYTCBA-UHFFFAOYSA-N

物化性质

• 沸点：
  472.2±55.0 °C(Predicted)
• 密度：
  1.53±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  88.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  (9ci)-2-(甲基硫代)-1H-苯并咪唑-4,7-二酮 在 氢溴酸 、 三氯化铁 作用下， 生成 5-Bromo-2-methylsulfanyl-1H-benzoimidazole-4,7-dione
  参考文献：
  名称：

  Synthesis and antiproliferative activity of some benzimidazole-4,7-dione derivatives

  摘要：

  A series of benzimidazole-4,7-diones bearing at the 2-position the thiomethyl group or the 2-pyridyl moiety has been synthesized and tested in vitro on three tumor cell lines. Two of them show a very good antiproliferative effect. Compounds 1 and 2d are more active or equiactive, respectively, than MMC against human lymphoblastic leukemia. Both compounds exhibit high activity on human non-Hodgkin lymphoma. Compound a is non toxic at all the concentrations used in the antiproliferative assay and 2d is toxic only at high concentration. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00429-7
• 作为产物：
  描述：

  4,7-dihydroxy-2-methylthio benzimidazole 在 三氯化铁 作用下， 生成 (9ci)-2-(甲基硫代)-1H-苯并咪唑-4,7-二酮
  参考文献：
  名称：

  Synthesis and antiproliferative activity of some benzimidazole-4,7-dione derivatives

  摘要：

  A series of benzimidazole-4,7-diones bearing at the 2-position the thiomethyl group or the 2-pyridyl moiety has been synthesized and tested in vitro on three tumor cell lines. Two of them show a very good antiproliferative effect. Compounds 1 and 2d are more active or equiactive, respectively, than MMC against human lymphoblastic leukemia. Both compounds exhibit high activity on human non-Hodgkin lymphoma. Compound a is non toxic at all the concentrations used in the antiproliferative assay and 2d is toxic only at high concentration. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00429-7

文献信息

• Synthesis and antiproliferative activity of some benzimidazole-4,7-dione derivatives
  作者：Laura Garuti、Marinella Roberti、Monica Malagoli、Tiziana Rossi、Mario Castelli

  DOI：10.1016/s0960-894x(00)00429-7

  日期：2000.10

  A series of benzimidazole-4,7-diones bearing at the 2-position the thiomethyl group or the 2-pyridyl moiety has been synthesized and tested in vitro on three tumor cell lines. Two of them show a very good antiproliferative effect. Compounds 1 and 2d are more active or equiactive, respectively, than MMC against human lymphoblastic leukemia. Both compounds exhibit high activity on human non-Hodgkin lymphoma. Compound a is non toxic at all the concentrations used in the antiproliferative assay and 2d is toxic only at high concentration. (C) 2000 Elsevier Science Ltd. All rights reserved.