2-Bromo-5-[6-methoxy-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazole | 1352342-61-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-Bromo-5-[6-methoxy-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazole
• CAS: 1352342-61-0
• 化学式: C₁₄H₉BrF₃N₃O₂
• 分子量: 388.144
• InChiKey: GZHDOUPLOMKPFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-Bromo-5-[6-methoxy-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazole 、 三氟乙酸 、 2-(氨甲基)-1,3-二氧戊环 在 N,N-二异丙基乙胺 作用下， 以 水 、 乙腈 为溶剂， 生成 N-((1,3-dioxolan-2-yl)methyl)-5-(6-methoxy-4-methyl-8-(trifluoromethyl)quinolin-2-yl)-1,3,4-oxadiazol-2-amine trifluoroacetate
  参考文献：
  名称：

  Highly Potent HCV NS4B Inhibitors with Activity against Multiple Genotypes

  摘要：

  The exploration of novel inhibitors of the HCV NS4B protein that are based on a 2-oxadiazoloquinoline scaffold is described. Optimization to incorporate activity across genotypes led to a potent new series with broad activity, of which inhibitor 1 displayed the following EC50 values: 1a, 0.08 nM; 1b, 0.10 nM; 2a, 3 nM; 2b, 0.6 nM, 3a, 3.7 nM; 4a, 0.9 nM; 6a, 3.1 nM.

  DOI：

  10.1021/jm401646w

文献信息

• INHIBITORS OF HEPATITIS C VIRUS
  申请人：Cai Zhenhong R.

  公开号：US20120053148A1

  公开（公告）日：2012-03-01

  The present application includes novel inhibitors of HCV, compositions containing such compounds, therapeutic methods that include the administration of such compounds.

  本申请涵盖了新型HCV抑制剂、含有这些化合物的组合物、包括给予这些化合物的治疗方法。
• [EN] INHIBITORS OF HEPATITIS C VIRUS<br/>[FR] INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：GILEAD SCIENCES INC

  公开号：WO2011156610A2

  公开（公告）日：2011-12-15

  The present application includes novel inhibitors of HCV, compositions containing such compounds, therapeutic methods that include the administration of such compounds Formula (I).