8-tert-butyl-4-methyl-6-(2,2,2-trifluoroethoxy)quinoline-2-carbohydrazide | 1352342-97-2

• 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: 8-tert-butyl-4-methyl-6-(2,2,2-trifluoroethoxy)quinoline-2-carbohydrazide
• CAS: 1352342-97-2
• 化学式: C₁₇H₂₀F₃N₃O₂
• 分子量: 355.36
• InChiKey: LGFJXEWMXNWOCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  77.2
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  O-phenyl ((1s,3s)-3-(difluoromethyl)-3-hydroxycyclobutyl)carbamothioate 、 8-tert-butyl-4-methyl-6-(2,2,2-trifluoroethoxy)quinoline-2-carbohydrazide 在 三乙胺 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以63%的产率得到(1s,3s)-3-(5-(8-tert-butyl-4-methyl-6-(2,2,2-trifluoroethoxy)quinolin-2-yl)-1,3,4-oxadiazol-2-ylamino)-1-(difluoromethyl)cyclobutanol
  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
• 作为产物：
  描述：

  ethyl 8-(tert-butyl)-4-methyl-6-(2,2,2-trifluoroethoxy)quinoline-2-carboxylate 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以100%的产率得到8-tert-butyl-4-methyl-6-(2,2,2-trifluoroethoxy)quinoline-2-carbohydrazide
  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).