2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
• 化学式: C₂₈H₂₂N₄O₂
• 分子量: 446.508
• InChiKey: QSHOHAZUJFNTGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  75.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  二硝基联苯胺 在 镍 氢气 作用下， 以 硝基苯 、 丙酮 为溶剂， 150.0 ℃ 、275.8 kPa 条件下， 反应 10.0h， 生成 2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
  参考文献：
  名称：

  A New Class of Symmetric Bisbenzimidazole-Based DNA Minor Groove-Binding Agents Showing Antitumor Activity

  摘要：

  The synthesis and evaluation of the novel head-to-head bisbenzimidazole compound 2,2-bis[4'-(3 " -dimethylamino- 1 " -propyloxy)phenyl]-5,5-bi-1H-benzimidazole is described. An X-ray crystallographic study of a complex with the DNA dodecanucleotide sequence d(CGCGAATTCGCG) shows the compound bound in the A/T minor groove region of a B-DNA duplex and that the head-to-head bisbenzimidazole motif hydrogen-bonds to the edges of all four consecutive A:T base pairs. The compound showed potent growth inhibition with a mean IC50 across an ovarian carcinoma cell line panel of 0.31 muM, with no significant cross-resistance in two acquired cisplatin-resistant cell lines and a low level of cross-resistance in the P-glycoprotein overexpressing acquired doxorubicin-resistant cell line. Studies with the hollow fiber assay and in vivo tumor xenografts showed some evidence of antitumor activity.

  DOI：

  10.1021/jm000297b

文献信息

• [EN] HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES<br/>[FR] COMPOSÉS À PETITES MOLÉCULES MIMÉTIQUES DES FACTEURS DE CROISSANCE HÉMATOPOÏÉTIQUE ET LEURS UTILISATIONS
  申请人：LIGAND PHARM INC

  公开号：WO2011046954A1

  公开（公告）日：2011-04-21

  The present embodiments relate to compounds with physiological effects, such as the activation of hematopoietic growth factor receptors. The present embodiments also relate to use of the compounds to treat a variety of conditions, diseases and ailments such as hematopoietic conditions and disorders.

  目前的实施例涉及具有生理效应的化合物，例如激活造血生长因子受体。目前的实施例还涉及利用这些化合物来治疗各种疾病、疾病和疾患，如造血状况和疾病。
• [EN] ANTIBACTERIAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIBACTÉRIENS
  申请人：SUMMIT CORP PLC

  公开号：WO2010063996A2

  公开（公告）日：2010-06-10

  Disclosed are compounds of formula (I), which are of use in the treatment of bacterial diseases and infections, to compositions containing those compounds and to methods of treating bacterial diseases and infections using the compounds. In particular, the compounds are useful for the treatment of infection with, and diseases caused by, Clostridium difficile.

  公开了式(I)的化合物，其用于治疗细菌性疾病和感染，用于含有这些化合物的组合物以及使用这些化合物治疗细菌性疾病和感染的方法。特别地，这些化合物对治疗由难辨梭菌引起的感染和疾病非常有用。
• HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES
  申请人：Zhi Lin

  公开号：US20120295904A1

  公开（公告）日：2012-11-22

  The present embodiments relate to compounds with physiological effects, such as the activation of hematopoietic growth factor receptors. The present embodiments also relate to use of the compounds to treat a variety of conditions, diseases and ailments such as hematopoietic conditions and disorders.

  本实施例涉及具有生理效应的化合物，例如激活造血生长因子受体。本实施例还涉及使用这些化合物来治疗各种状况、疾病和疾病，例如造血系统状况和疾病。
• ANTIBACTERIAL COMPOUNDS
  申请人：Davis Paul James

  公开号：US20120020950A1

  公开（公告）日：2012-01-26

  Disclosed are compounds of formula (I), which are of use in the treatment of bacterial diseases and infections, to compositions containing those compounds and to methods of treating bacterial diseases and infections using the compounds. In particular, the compounds are useful for the treatment of infection with, and diseases caused by, Clostridium difficile .

  本发明涉及一种公式（I）的化合物，其可用于治疗细菌性疾病和感染，以及包含这些化合物的组合物和使用这些化合物治疗细菌性疾病和感染的方法。特别地，这些化合物可用于治疗由难辨梭菌引起的感染和疾病。
• USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS
  申请人：Bissonnette Reid P.

  公开号：US20140243324A1

  公开（公告）日：2014-08-28

  The present invention relates to uses of small molecule mimetics of hematopoietic growth factors. In particular the present invention relates to uses of small molecule mimetics of erythropoietin.

  本发明涉及使用小分子模拟血液生成生长因子的用途。特别是本发明涉及使用小分子模拟红细胞生成素的用途。