Methyl({4-[(trifluoromethyl)sulfanyl]phenyl}methyl)amine hydrochloride | 2703774-24-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl({4-[(trifluoromethyl)sulfanyl]phenyl}methyl)amine hydrochloride
• 英文别名: N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride
• CAS: 2703774-24-5
• 化学式: C₉H₁₀F₃NS*ClH
• 分子量: 257.707
• InChiKey: XHPKOJOOTVVZEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.44
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12.03
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Methyl({4-[(trifluoromethyl)sulfanyl]phenyl}methyl)amine hydrochloride 在 Oxone 、 双(三甲基硅烷基)氨基钾 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 、 水 、 丙酮 、 甲苯 为溶剂， 反应 4.33h， 生成 (S)-2-Benzyl-4-oxo-azetidine-1-carboxylic acid methyl-(4-trifluoromethanesulfonyl-benzyl)-amide
  参考文献：
  名称：

  β-Lactam Derivatives as Inhibitors of Human Cytomegalovirus Protease

  摘要：

  The development of novel monobactam inhibitors of HCMV protease incorporating a carbon side chain at C-4 and a urea function at N-1 is described. Substitution with small groups at the C-3 position of the beta-lactam ring gave an increase in enzymatic activity and in stability; however, a lack of selectivity against other serine proteases was noted. The use of both tri- and tetrasubstituted urea functionalities gave effective inhibitors of HCMV protease. Benzyl substitution of the urea moiety was beneficial, especially when strong electron-withdrawing groups where attached at the para position. Modest antiviral activity was found in a plaque reduction assay.

  DOI：

  10.1021/jm980131z