N-(5-Methyl-isoxazol-3-yl)-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(5-Methyl-isoxazol-3-yl)-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
• 英文别名: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
• 化学式: C₁₅H₁₁F₃N₄O₂S₂
• 分子量: 400.4
• InChiKey: OPVMJGVYIBFRIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  134
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• MULTI-MODALITY MOLECULAR IMAGING HIGH-THROUGHPUT ASSAY FOR IDENTIFYING HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US20130310347A1

  公开（公告）日：2013-11-21

  High throughput methods for identifying novel inhibitors of Hsp90 chaperone protein folding are disclosed. The inhibitors so identified disrupt the binding of p23 to either Hsp90α or Hsp90β and have selective activity against the proliferation of cancer cells. In particular are provided embodiments of therapeutic compositions that comprise at least one inhibitor of an Hsp90 chaperone activity, the inhibitor being any of the compounds designated as CP1-CP19 as shown in FIGS. 1 A- 1 D or a 2-(trifluoromethyl)pyrimidin-2-yl)thio)acetamide derivatives.