1-((4-nitrophenyl)sulfonyl)-4-(3-(trifluoromethyl)phenyl)piperazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-((4-nitrophenyl)sulfonyl)-4-(3-(trifluoromethyl)phenyl)piperazine
• 英文别名: 1-[(4-Nitrophenyl)sulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine；1-(4-nitrophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
• 化学式: C₁₇H₁₆F₃N₃O₄S
• mdl: MFCD01476244
• 分子量: 415.393
• InChiKey: UKVGOXDHDPQYJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  94.8
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-((4-nitrophenyl)sulfonyl)-4-(3-(trifluoromethyl)phenyl)piperazine 在 溶剂黄146 、 锌 作用下， 以 甲醇 为溶剂， 以97 %的产率得到4-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)sulfonyl)aniline
  参考文献：
  名称：

  [EN] LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS
  [FR] INHIBITEURS DE LPXH EN TANT QU'AGENTS ANTI-INFECTIEUX

  摘要：

  The present invention relates to compounds of formula (IIIa), which are suitable for use as anti-infectives, particularly as antibiotics. X1is N or CH. …. is a single or a double bond. When …. is a single bond then X2is selected from the group consisting of CH, N, and N(O), and Y is selected from the group consisting of optionally substituted C3-C10alkyl, optionally substituted C3-C8cycloalkyl, optionally substituted phenyl, and optionally substituted 6-membered heteroaryl. When …. is a double bond then X2is C, and, and Y is selected from the group consisting of optionally substituted C3-C10alkylidene, and optionally substituted C3-C8cycloalkylidene. E is CH, C-OMe or N. Each instance of Z2is independently selected from CH, CF and N. The invention further relates to the use of such compounds in therapeutic applications, as well as pharmaceutical composition comprising such compounds.

  公开号：

  WO2022220725A1
• 作为产物：
  描述：

  tert-butyl 4-(3-(trifluoromethyl)phenyl)piperazine-1-carboxylate 在 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 1-((4-nitrophenyl)sulfonyl)-4-(3-(trifluoromethyl)phenyl)piperazine
  参考文献：
  名称：

  [EN] LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS
  [FR] INHIBITEURS DE LPXH EN TANT QU'AGENTS ANTI-INFECTIEUX

  摘要：

  The present invention relates to compounds of formula (IIIa), which are suitable for use as anti-infectives, particularly as antibiotics. X1is N or CH. …. is a single or a double bond. When …. is a single bond then X2is selected from the group consisting of CH, N, and N(O), and Y is selected from the group consisting of optionally substituted C3-C10alkyl, optionally substituted C3-C8cycloalkyl, optionally substituted phenyl, and optionally substituted 6-membered heteroaryl. When …. is a double bond then X2is C, and, and Y is selected from the group consisting of optionally substituted C3-C10alkylidene, and optionally substituted C3-C8cycloalkylidene. E is CH, C-OMe or N. Each instance of Z2is independently selected from CH, CF and N. The invention further relates to the use of such compounds in therapeutic applications, as well as pharmaceutical composition comprising such compounds.

  公开号：

  WO2022220725A1