2-(4,7-dioxo-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxylic acid | 406910-02-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4,7-dioxo-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxylic acid
• CAS: 406910-02-9
• 化学式: C₁₁H₅N₃O₄S
• 分子量: 275.244
• InChiKey: JSYUNPJPJSTDRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  甲醇 、 2-(4,7-dioxo-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxylic acid 在 ammonium hydroxide 作用下， 生成 2-(6-methoxy-4,7-dioxo-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxylic acid
  参考文献：
  名称：

  Synthesis and Antiproliferative Activity of Some Thiazolylbenzimidazole-4,7-diones

  摘要：

  Some thiazolylbenzimidazole-4,7-diones were synthesized and tested in vitro on two tumor cell lines. Compounds 2d and 2e show a very good activity on K562 cells, whereas compounds 2a and 2b are active on SW620 cells. The importance of the methoxy group on the quinone moiety is confirmed and the function at 4-position of the thiazole ring plays a determining role for the activity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00639-4
• 作为产物：
  描述：

  4,7-dimethoxy-1H-benzimidazole-2-carboxamide 在 劳森试剂 、 氢溴酸 、 三氯化铁 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 6.0h， 生成 2-(4,7-dioxo-1H-benzimidazol-2-yl)-1,3-thiazole-4-carboxylic acid
  参考文献：
  名称：

  Synthesis and Antiproliferative Activity of Some Thiazolylbenzimidazole-4,7-diones

  摘要：

  Some thiazolylbenzimidazole-4,7-diones were synthesized and tested in vitro on two tumor cell lines. Compounds 2d and 2e show a very good activity on K562 cells, whereas compounds 2a and 2b are active on SW620 cells. The importance of the methoxy group on the quinone moiety is confirmed and the function at 4-position of the thiazole ring plays a determining role for the activity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00639-4

文献信息

• Synthesis and Antiproliferative Activity of Some Thiazolylbenzimidazole-4,7-diones
  作者：Laura Garuti、Marinella Roberti、Annalisa Pession、Emanuela Leoncini、Silvana Hrelia

  DOI：10.1016/s0960-894x(01)00639-4

  日期：2001.12

  Some thiazolylbenzimidazole-4,7-diones were synthesized and tested in vitro on two tumor cell lines. Compounds 2d and 2e show a very good activity on K562 cells, whereas compounds 2a and 2b are active on SW620 cells. The importance of the methoxy group on the quinone moiety is confirmed and the function at 4-position of the thiazole ring plays a determining role for the activity. (C) 2001 Elsevier Science Ltd. All rights reserved.