2-(4-氨基苯基)-1H-苯并咪唑-6-羧酸 | 190121-99-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 2-(4-氨基苯基)-1H-苯并咪唑-6-羧酸
• 中文别名: 苯并噻唑,3-乙基-2,3-二氢-2-[(四氢-2H-噻喃-4-基)亚甲基]-(9CI)
• 英文名称: 2-(4-aminophenyl)benzimidazole-5-carboxylic acid
• 英文别名: 2-(4-Aminophenyl)-1h-benzimidazole-5-carboxylic acid；2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
• CAS: 190121-99-4
• 化学式: C₁₄H₁₁N₃O₂
• 分子量: 253.26
• InChiKey: QYGXOZAZNUAHPH-UHFFFAOYSA-N

物化性质

• 沸点：
  596.9±56.0 °C(Predicted)
• 密度：
  1.445±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 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：
  92
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  光气 、 2-(4-氨基苯基)-1H-苯并咪唑-6-羧酸 在 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 以35%的产率得到5,5'-{carbonylbis[imino-4,1-phenylene-(2-benzimidazole)]}-bis-carboxylic acid disodium salt
  参考文献：
  名称：

  Kreimeyer; Magor; Nickel, Pharmazie, 1997, vol. 52, # 4, p. 268 - 271

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-二氨基苯甲酸 在 palladium on activated charcoal 盐酸 、 氢气 、 氧气 作用下， 以 甲醇 为溶剂， 150.0 ℃ 、399.99 kPa 条件下， 反应 24.0h， 生成 2-(4-氨基苯基)-1H-苯并咪唑-6-羧酸
  参考文献：
  名称：

  Kreimeyer; Magor; Nickel, Pharmazie, 1997, vol. 52, # 4, p. 268 - 271

  摘要：

  DOI：

文献信息

• Benzoimidazole derivatives as anticancer agents
  申请人：CENTRE LEON BERARD

  公开号：US11384081B2

  公开（公告）日：2022-07-12

  The disclosure relates to benzoimidazole derivatives, acting as anticancer drugs, as well as pharmaceutical composition containing said compounds. These compounds are able to firstly inhibit the protein/protein interactions of the MAP Kinase Erk, leading to inhibition of proliferation and secondly to induce apoptosis in human cancer cell lines.

  本公开涉及作为抗癌药物的苯并咪唑衍生物，以及含有上述化合物的药物组合物。这些化合物首先能抑制 MAP 激酶 Erk 的蛋白/蛋白相互作用，从而抑制增殖，其次能诱导人类癌细胞株凋亡。
• COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER
  申请人：TOMKINSON Alan E.

  公开号：US20100099683A1

  公开（公告）日：2010-04-22

  Methods for treating cancer using compounds that inhibit human DNA ligases. Methods for using compounds that inhibit human DNA ligases to provide insights into the reaction mechanisms of human DNA ligases, for example to identify the human DNA ligase involved in different DNA repair pathways. Screening methods for compounds that inhibit human DNA ligases.
• Compounds that inhibit human DNA ligases and methods of treating cancer
  申请人：University of Maryland, Baltimore

  公开号：US20140113891A1

  公开（公告）日：2014-04-24

  Methods for treating cancer using compounds that inhibit human DNA ligases. Methods for using compounds that inhibit human DNA ligases to provide insights into the reaction mechanisms of human DNA ligases, for example to identify the human DNA ligase involved in different DNA repair pathways. Screening methods for compounds that inhibit human DNA ligases.
• BENZOIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS
  申请人：CENTRE LEON BERARD

  公开号：US20210292328A1

  公开（公告）日：2021-09-23

  The disclosure relates to benzoimidazole derivatives, acting as anticancer drugs, as well as pharmaceutical composition containing said compounds. These compounds are able to firstly inhibit the protein/protein interactions of the MAP Kinase Erk, leading to inhibition of proliferation and secondly to induce apoptosis in human cancer cell lines.
• Benzoimidazole Derivatives As Anticancer Agents
  申请人：CENTRE LEON BERARD

  公开号：US20220348587A1

  公开（公告）日：2022-11-03

  The disclosure relates to benzoimidazole derivatives, acting as anticancer drugs, as well as pharmaceutical composition containing the compounds. These compounds are able to firstly inhibit the protein/protein interactions of the MAP Kinase Erk, leading to inhibition of proliferation and secondly to induce apoptosis in human cancer cell lines.