2-(2'-(4-fluorophenyl)sulfonamidophenyl)benzimidazole | 1232007-75-8

• 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-(2'-(4-fluorophenyl)sulfonamidophenyl)benzimidazole
• 英文别名: N-[2-(1H-benzimidazol-2-yl)phenyl]-4-fluorobenzenesulfonamide
• CAS: 1232007-75-8
• 化学式: C₁₉H₁₄FN₃O₂S
• 分子量: 367.403
• InChiKey: XJVJZHFBXLWIET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(2-氨基苯基)苯并咪唑 、 4-氟苯磺酰氯 在 吡啶 作用下， 反应 0.05h， 以87%的产率得到2-(2'-(4-fluorophenyl)sulfonamidophenyl)benzimidazole
  参考文献：
  名称：

  从传感器到消音器：作为锌蛋白酶抑制剂的喹啉和苯并咪唑磺酰胺

  摘要：

  源自小分子锌 (II) 离子传感器领域的广泛工作，已经制备了喹啉和苯并咪唑磺酰胺的螯合片段库，并针对几种不同的锌 (II) 依赖性基质金属蛋白酶 (MMP) 进行了筛选。基于螯合基团的性质，这些片段显示出对这些金属酶的显着抑制和对不同 MMP 的偏好。研究结果表明，聚焦螯合剂文库是发现用于金属蛋白抑制的先导片段的有力策略。

  DOI：

  10.1021/ja101088j

文献信息

• COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS
  申请人：Pellecchia Maurizio

  公开号：US20100041653A1

  公开（公告）日：2010-02-18

  The present disclosure provides compounds having the general structure A or pharmaceutically acceptable salts thereof: R—X  (A) wherein R is an alkyl or aryl moiety comprising heterocyclic structures; and X is a metal-chelatin group selected from: This disclosure further provides a focused library of compounds for use in the discovery and design of metallo-enzyme inhibitors. This fragment-based approach provides an assembly of a library of low molecular weight compounds (MW<300 Da) containing a variety of potential metal-chelating groups. The identification of the inhibitory scaffolds among these compounds provides the initial hit fragments that may be optimized for affinity against a particular target using common medicinal chemistry, structure-based or NMR-based approaches.
• Zinc Chelating Agents for Depleting Xiap and Sensitizing Tumor Cells to Apoptosis
  申请人：Institute for Cancer Research d/b/a The Research Institute of Fox Chase Cancer Center

  公开号：US20150147291A1

  公开（公告）日：2015-05-28

  The invention provides zinc chelating agents and formulations thereof that deplete XIAP in cancer cells and sensitize the cells to apoptosis-inducing agents. The invention provides methods for sensitizing apoptosis-resistant cancer cells to apoptosis-inducing agents, as well as methods for treating a subject with a combined therapy of a zinc chelating agent and an apoptosis-inducing agent.
• US9320736B2
  申请人：——

  公开号：US9320736B2

  公开（公告）日：2016-04-26