2-(3,4-dichloro-phenyl)-1-(2-methylsulfanyl-pyrimidin-4-yl)-1H-benzoimidazole | 1428958-91-1

• 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-(3,4-dichloro-phenyl)-1-(2-methylsulfanyl-pyrimidin-4-yl)-1H-benzoimidazole
• CAS: 1428958-91-1
• 化学式: C₁₈H₁₂Cl₂N₄S
• 分子量: 387.292
• InChiKey: MIOULPMVFFOSAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.51
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  43.6
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  邻苯二胺 在 tris-(dibenzylideneacetone)dipalladium(0) 、 BINAP 、 双氧水 、 sodium t-butanolate 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 3.0h， 生成 2-(3,4-dichloro-phenyl)-1-(2-methylsulfanyl-pyrimidin-4-yl)-1H-benzoimidazole
  参考文献：
  名称：

  Syntheses and biological evaluation of 1-heteroaryl-2-aryl-1 H -benzimidazole derivatives as c-Jun N-terminal kinase inhibitors with neuroprotective effects

  摘要：

  1-Heteroaryl-2-aryl-1H-benzimidazole derivatives were synthesized as inhibitors of c-Jun N-terminal kinases, JNK3. Their activities were evaluated through measurement of K-d using SPR, JNK3 kinase assay, and cell-viability of human neuroblastoma cells. Most tested compounds showed high affinity (10 mu M-46 nM) to JNK3. Among them, compound 16f exhibited potent activities (K-d = 46 nM). Especially, 16f was also found to present a potent cell protective effect (IC50 = 1.09 mu M) against toxicity induced by anisomycin, showing a possibility as protective therapeutics in neuronal cell apoptosis. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.02.021