4,5,6,7-Tetrabromo-2-chlorobenzimidazole | 163110-42-7

• 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: 4,5,6,7-Tetrabromo-2-chlorobenzimidazole
• 英文别名: 2-chloro-4, 5,6, 7-tetrabromobenzimidazole；1H-Benzimidazole, 4,5,6,7-tetrabromo-2-chloro-；4,5,6,7-tetrabromo-2-chloro-1H-benzimidazole
• CAS: 163110-42-7
• 化学式: C₇HBr₄ClN₂
• 分子量: 468.167
• InChiKey: IMXSFCWVBCNIAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  甲胺 、 4,5,6,7-Tetrabromo-2-chlorobenzimidazole 以 乙醇 为溶剂， 反应 20.0h， 以68%的产率得到2-methylamino-4, 5, 6, 7-tetrabromo-1 H-benzimidazole
  参考文献：
  名称：

  [EN] NEW DERIVATIVES OF 4, 5, 6, 7-TETRABROMOBENZIMIDAZOLE AND METHOD OF THEIR PREPARATION
  [FR] NOUVEAUX DERIVES DE 4, 5, 6, 7-TETRABROMOBENZIMIDAZOLE ET PROCEDE POUR LES PREPARER

  摘要：

  4, 5, 6, 7-四溴苯并咪唑的新衍生物的公式(I)；其中R1是氢或脂肪基团，R2是脂肪基团，可选地取代为氢或诸如羟基或取代氨基等取代基，以及其制备方法。

  公开号：

  WO2005092866A1
• 作为产物：
  描述：

  2-氯苯并咪唑 在 溴 作用下， 以 水 为溶剂， 反应 24.0h， 以55%的产率得到4,5,6,7-Tetrabromo-2-chlorobenzimidazole
  参考文献：
  名称：

  Polyhalogenobenzimidazoles: synthesis and Their inhibitory activity against casein kinases

  摘要：

  A series of novel polyhalogenated benzimidazoles have been prepared by exhaustive bromination of a variety of 2-substituted benzimidazoles. The efficacy of both new compounds and a number of their previously described cognates as inhibitors of casein kinases CK1, CK2 and G-CK was investigated. The type of N-1 alkyl substituent as well as introduction of a polyfluoroalkyl moiety at position 2 did not markedly influence the inhibitory efficacy toward CK2 of the respective 4,5,6,7-tetra-bromobenzimidazole derivatives which conversely were almost ineffective toward CK1 and G-CK. However, 4,5,6,7-tetra-bromobenzimidazoles substituted at position 2 with either chlorine, bromine or sulfur atom, while manifesting a still considerable inhibitory activity against CK2 (IC50 in the 0.49-0.93 muM range) proved to be potentially powerful inhibitors also against CK1 (IC50 in the 18.4-2.2 muM range). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00403-6

文献信息

• NEW DERIVATIVES OF 4,5,6,7-TETRABROMOBENZIMIDAZOLE AND METHOD OF THEIR PREPARATION
  申请人：Kazimierczuk Zygmunt

  公开号：US20070213385A1

  公开（公告）日：2007-09-13

  Taught herein are new derivatives of 4,5,6,7-tetrabromobenzimidazole of Formula 1 wherein R 1 is a hydrogen or an aliphatic group, and R 2 is an aliphatic group, optionally substituted with a hydrogen or a substituent such as a hydroxyl group or substituted amino group, and a method of their preparation.

  本文介绍了4,5,6,7-四溴苯并咪唑的新衍生物，其化学式为1，其中R1是氢或脂肪基，R2是脂肪基，可选地带有氢或取代基，例如羟基或取代氨基，以及它们的制备方法。
• METHODS FOR TREATING NEOPLASMS WITH DERIVATIVES OF 4,5,6,7-TETRABROMOBENZIMIDAZOLE
  申请人：KAZIMIERCZUK Zygmunt

  公开号：US20090239921A1

  公开（公告）日：2009-09-24

  A pharmaceutical composition exhibiting an anti-neoplastic activity, comprising: a pharmaceutically-effective amount of a compound of Formula 1 and at least one inert, pharmaceutically acceptable carrier or diluent; wherein R 1 is a hydrogen or an aliphatic group; and R 2 is an aliphatic group, optionally substituted with a substituent selected from a hydroxyl and a substituted amino group; and methods of treating human neoplasms and for inhibiting caseine kinase 2 activity with said pharmaceutical composition.

  一种具有抗肿瘤活性的药物组合物，包括：公式1的化合物的药效学有效量和至少一种惰性的、药学上可接受的载体或稀释剂；其中，R1是氢或脂肪基；R2是脂肪基，可选地被羟基和取代氨基基团的取代物所取代；以及使用该药物组合物治疗人类肿瘤和抑制酪氨酸激酶2活性的方法。
• POLYSUBSTITUTED BENZIMIDAZOLES AS ANTIVIRAL AGENTS
  申请人：THE REGENTS OF THE UNIVERSITY OF MICHIGAN

  公开号：EP0556334A1

  公开（公告）日：1993-08-25
• EP0556334A4
  申请人：——

  公开号：EP0556334A4

  公开（公告）日：1995-03-29
• NEW DERIVATIVES OF 4, 5, 6, 7-TETRABROMOBENZIMIDAZOLE AND METHOD OF THEIR PREPARATION
  申请人：FUNDACJA ROZWOJU DIAGNOSTYKI I TERATII

  公开号：EP1778647A1

  公开（公告）日：2007-05-02