2-[4-(4-Chloro-phenyl)-phenyl]-1H-benzoimidazole-5-carboxylic Acid Amide

• 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-(4-Chloro-phenyl)-phenyl]-1H-benzoimidazole-5-carboxylic Acid Amide
• 英文别名: 2-(4''''-Chloro-biphenyl-4-yl)-1H-benzoimidazole-5-carboxylic acid amide；2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide
• 化学式: C₂₀H₁₄ClN₃O
• 分子量: 347.804
• InChiKey: CBVZRVMIRYIMRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4'-氯联苯-4-甲醛 生成 2-[4-(4-Chloro-phenyl)-phenyl]-1H-benzoimidazole-5-carboxylic Acid Amide
  参考文献：
  名称：

  Substituted benzimidazoles and imidazo-[4,5]-pyridines

  摘要：

  2-芳基取代苯并咪唑和咪唑[4,5]吡啶被披露为Cds1的抑制剂，并在癌症治疗中作为化疗或放疗的辅助剂。

  公开号：

  US20030176438A1

文献信息

• Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines
  申请人：Arienti L. Kristen

  公开号：US20080009493A1

  公开（公告）日：2008-01-10

  2-Aryl substituted benzimidazoles and imidazo[4,5]pyridines are disclosed as inhibitors of Cds1 and useful as adjuvants to chemotherapy or radiation therapy in the treatment of cancer.

  2-芳基取代苯并咪唑和咪唑[4,5]吡啶被披露为Cds1的抑制剂，并可用作辅助化疗或放疗治疗癌症。
• Checkpoint Kinase Inhibitors:  SAR and Radioprotective Properties of a Series of 2-Arylbenzimidazoles
  作者：Kristen L. Arienti、Anders Brunmark、Frank U. Axe、Kelly McClure、Alice Lee、Jon Blevitt、Danielle K. Neff、Liming Huang、Shelby Crawford、Chennagiri R. Pandit、Lars Karlsson、J. Guy Breitenbucher

  DOI：10.1021/jm0495935

  日期：2005.3.1

  The discovery of a series of novel, potent, and highly selective inhibitors of the DNA damage control kinase chk2 is disclosed. Here we report the first SAR study around inhibitors of this kinase. High-throughput screening of purified human chk2 led to the identification of a novel series of 2-arylbenzimidazole inhibitors of the kinase. Optimization was facilitated using homology models of chk2 and docking of inhibitors, leading to the highly potent 2-arylbenzimidazole 2h (IC50 15 nM). Compound 2h is an ATP-competitive inhibitor of chk2 that dose dependently protects human CD4+ and CD8+ T-cells from apoptosis due to ionizing radiation. This work suggests that a selective small molecule inhibitor of chk2 could be a useful adjuvant to radiotherapy, increasing the therapeutic window of such treatment.
• 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-¬4,5|-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1435947B1

  公开（公告）日：2007-08-15
• 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1435947A1

  公开（公告）日：2004-07-14
• US7271261B2
  申请人：——

  公开号：US7271261B2

  公开（公告）日：2007-09-18