NSC 747417 | 1336804-61-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: NSC 747417
• 英文别名: 2-[[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
• CAS: 1336804-61-5
• 化学式: C₁₄H₁₁F₃N₆S*ClH
• 分子量: 388.804
• InChiKey: QNKGNHSMQLSHHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.32
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  91.56
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-溴-1-(3-(三氟甲基)苯基)乙酮 在 三氯氧磷 作用下， 以 乙醇 、 氯仿 、 丙酮 为溶剂， 生成 NSC 747417
  参考文献：
  名称：

  Imidazo[2,1-b]thiazole guanylhydrazones as RSK2 inhibitors

  摘要：

  The activity of a series of imidazo[2,1-b]thiazole guanylhydrazones as inhibitors of p90 ribosomal S6 kinase 2 (RSK2) is described. It was found that a small subset of compounds show both potent inhibition of RSK2 kinase activity and tumor cell growth in vitro. Detailed study of one of the most active compounds indicates a high degree of selectivity for inhibition of RSK2 compared to a spectrum of other related kinases. Selective inhibition of the MCF-7 breast tumor cell line compared to MCF-10A non-transformed cells, as well as selective inhibition of the biomarker GSK3 provides evidence that the compounds can affect the RSK2 target in cells. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.07.001