(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-ylsulfanyl)acetic acid | 1085822-12-3

• 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-1-methyl-1H-benzimidazol-2-ylsulfanyl)acetic acid
• 英文别名: 2-(4,5,6,7-Tetrabromo-1-methylbenzimidazol-2-yl)sulfanylacetic acid
• CAS: 1085822-12-3
• 化学式: C₁₀H₆Br₄N₂O₂S
• 分子量: 537.852
• InChiKey: IKMFLHAJWDFWJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  80.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4,5,6,7-tetrabromo-1-methyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione 在 potassium carbonate 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 (4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-ylsulfanyl)acetic acid
  参考文献：
  名称：

  CK2α and CK2α′ subunits differ in their sensitivity to 4,5,6,7-tetrabromo- and 4,5,6,7-tetraiodo-1H-benzimidazole derivatives

  摘要：

  The goal of this study was to test the inhibitory activity of a series of tetrahalogenobenzimidazoles, including a number of novel derivatives, on individual catalytic subunits of human CK2. 4,5,6,7-tetrabromo- and 4,5,6,7-tetraiodo-1H-benzimidazoles and their newly obtained N-1- and 2-S-carboxyalkyl derivatives showed potent inhibitory activity against both these subunits. CK2 alpha' was up to 6 times more sensitive to the studied compounds than CK2 alpha. The investigated iododerivatives showed, in most cases, stronger inhibitory properties than the respective brominated congeners, but the differences showed considerable dependence on the protein substrate used. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.11.002

文献信息

• COMPOSITIONS AND METHODS FOR TREATING MEDULLOBLASTOMA
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US20170360813A1

  公开（公告）日：2017-12-21

  Provided are methods and compositions for treating an individual who has a medulloblastoma. Methods for treating an individual who has a medulloblastoma tumor can include a step of administering to the individual, at a dose sufficient to reduce the size and/or growth rate of the medulloblastoma tumor, a composition that includes a casein kinase II (CK2) inhibitor (e.g., a CK2-selective inhibitor such as CX-4945). In some cases, the medulloblastoma tumor is a hedgehog-dependent medulloblastoma tumor. In some cases, the medulloblastoma tumor is a hedgehog-independent medulloblastoma tumor. In some cases, the medulloblastoma tumor is smoothened inhibitor-resistant (SMO inhibitor-resistant). In some cases, the medulloblastoma is resistant to treatment with 4,5,6,7-tetrabromo-2H-benzotriazole (TBB). In some cases, the dose is sufficient to cause long term regression of the medulloblastoma tumor, and in some cases, the dose is sufficient to increase the chance of survival of the individual.
• CK2α and CK2α′ subunits differ in their sensitivity to 4,5,6,7-tetrabromo- and 4,5,6,7-tetraiodo-1H-benzimidazole derivatives
  作者：Monika Janeczko、Andrzej Orzeszko、Zygmunt Kazimierczuk、Ryszard Szyszka、Andrea Baier

  DOI：10.1016/j.ejmech.2011.11.002

  日期：2012.1

  The goal of this study was to test the inhibitory activity of a series of tetrahalogenobenzimidazoles, including a number of novel derivatives, on individual catalytic subunits of human CK2. 4,5,6,7-tetrabromo- and 4,5,6,7-tetraiodo-1H-benzimidazoles and their newly obtained N-1- and 2-S-carboxyalkyl derivatives showed potent inhibitory activity against both these subunits. CK2 alpha' was up to 6 times more sensitive to the studied compounds than CK2 alpha. The investigated iododerivatives showed, in most cases, stronger inhibitory properties than the respective brominated congeners, but the differences showed considerable dependence on the protein substrate used. (C) 2011 Elsevier Masson SAS. All rights reserved.