N-((1-(4-phenoxyphenyl)-1H-1,2,3-triazol-4-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine

• 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: N-((1-(4-phenoxyphenyl)-1H-1,2,3-triazol-4-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine
• 英文别名: N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
• 化学式: C₂₁H₁₆F₃N₅O
• 分子量: 411.386
• InChiKey: QWSDRNYEGNKRGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  64.9
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-三氟甲基-4-氨基吡啶 在 4-二甲氨基吡啶 、 copper(ll) sulfate pentahydrate 、 sodium hydride 、 sodium ascorbate 、 三乙胺 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 水 、 mineral oil 、 叔丁醇 为溶剂， 反应 38.5h， 生成 N-((1-(4-phenoxyphenyl)-1H-1,2,3-triazol-4-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine
  参考文献：
  名称：

  WO2020007938A5

  摘要：

  公开号：

  WO2020007938A5

文献信息

• PqsR INVERSE AGONISTS
  申请人：HELMHOLTZ-ZENTRUM FÜR INFEKTIONSFORSCHUNG GMBH

  公开号：US20210353606A1

  公开（公告）日：2021-11-18

  The present invention relates to a compound according to general formula (I), which acts as an inhibitor of PqsR (the currently only known receptor for the Pseudomonas Quinolone Signal (PQS)); to a pharmaceutical composition containing one or more of the compound(s) of the invention; to a combination preparation containing at least one compound of the invention and at least one further active pharmaceutical ingredient; and to uses of said compound(s), including the use as a medicament, e.g. the use in the treatment or prophylaxis of a bacterial infection, especially a Pseudomonas aeruginosa or Burkholderia infection.
• [EN] PqsR INVERSE AGONISTS<br/>[FR] AGONISTES INVERSES DE PQSR
  申请人：HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH

  公开号：WO2020007938A1

  公开（公告）日：2020-01-09

  The present invention relates to a compound according to general formula (I), which acts as an inhibitor of PqsR (the currently only known receptor for the Pseudomonas Quinolone Signal (PQS)); to a pharmaceutical composition containing one or more of the compound(s) of the invention; to a combination preparation containing at least one compound of the invention and at least one further active pharmaceutical ingredient; and to uses of said compound(s), including the use as a medicament, e.g. the use in the treatment or prophylaxis of a bacterial infection, especially a Pseudomonas aeruginosa or Burkholderia infection.
• WO2020007938A5
  申请人：——

  公开号：WO2020007938A5

  公开（公告）日：2022-07-04