5-(2-(4-fluoro-2-methylphenyl)thiazol-4-yl)-1H-benzo[d]imidazol-2(3H)-one | 1569065-87-7

• 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: 5-(2-(4-fluoro-2-methylphenyl)thiazol-4-yl)-1H-benzo[d]imidazol-2(3H)-one
• 英文别名: 5-[2-(4-Fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one；5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
• CAS: 1569065-87-7
• 化学式: C₁₇H₁₂FN₃OS
• 分子量: 325.366
• InChiKey: FTJZJSPAXVCBBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  82.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氟-2-甲基(硫代苯甲酰胺) 、 5-(2-氯-乙酰基)-1,3-二氢-苯并咪唑-2-酮 在 四丁基溴化铵 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 5-(2-(4-fluoro-2-methylphenyl)thiazol-4-yl)-1H-benzo[d]imidazol-2(3H)-one
  参考文献：
  名称：

  Targeting the PPM1D phenotype; 2,4-bisarylthiazoles cause highly selective apoptosis in PPM1D amplified cell-lines

  摘要：

  The metal-dependent phosphatase PPM1D (WIP1) is an important oncogene in cancer, with over-expression of the protein being associated with significantly worse clinical outcomes. In this communication we describe the discovery and optimization of novel 2,4-bisarylthiazoles that phenocopy the knockdown of PPM1D, without inhibiting its phosphatase activity. These compounds cause growth inhibition at nanomolar concentrations, induce apoptosis, activate p53 and display impressive cell-line selectivity. The results demonstrate the potential for targeting phenotypes in drug discovery when tackling challenging targets or unknown mechanisms. (C) 2014 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2014.05.067

文献信息

• FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE
  申请人：The Institute of Cancer Research: Royal Cancer Hospital

  公开号：US20150232462A1

  公开（公告）日：2015-08-20

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts, hydrates and solvates thereof for use in the treatment of cancer:

  本发明提供式（I）的化合物及其药学上可接受的盐，水合物和溶剂化物，用于治疗癌症：
• US9550764B2
  申请人：——

  公开号：US9550764B2

  公开（公告）日：2017-01-24