N-(4-chloro-2-trifluoromethylphenyl)piperazine | 1121613-57-7

• 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: N-(4-chloro-2-trifluoromethylphenyl)piperazine
• 英文别名: 4-(4-chloro-trifluoromethylphenyl)piperazine；1-(4-Chloro-2-(trifluoromethyl)phenyl)piperazine；1-[4-chloro-2-(trifluoromethyl)phenyl]piperazine
• CAS: 1121613-57-7
• 化学式: C₁₁H₁₂ClF₃N₂
• mdl: MFCD11872738
• 分子量: 264.678
• InChiKey: CUQNXIWOLXYDER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(4-chloro-2-trifluoromethylphenyl)piperazine 、 5-甲基-2-苯基-3-呋喃甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 (4-(4-chloro-2-trifluoromethylphenyl)piperazin-1-yl)(5-methyl-2-phenylfuran-3-yl)methanone
  参考文献：
  名称：

  Synthesis, insecticidal activities, and SAR studies of novel piperazine-containing heterocyclic mono-/di-/tri-amide derivatives

  摘要：

  DOI：

  10.1016/j.cclet.2021.02.002
• 作为产物：
  描述：

  Tert-butyl 4-[4-chloro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 N-(4-chloro-2-trifluoromethylphenyl)piperazine
  参考文献：
  名称：

  4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide (ML267), a Potent Inhibitor of Bacterial Phosphopantetheinyl Transferase That Attenuates Secondary Metabolism and Thwarts Bacterial Growth

  摘要：

  4'-Phosphopantetheinyl transferases (PPTases) catalyze a post-translational modification essential to bacterial cell viability and virulence. We present the discovery and medicinal chemistry optimization of 2-pyridinyl-N-(4-aryl)-piperazine-1-carbothioamides, which exhibit submicromolar inhibition of bacterial Sfp-PPTase with no activity toward the human orthologue. Moreover, compounds within this class possess antibacterial activity in the absence of a rapid cytotoxic response in human cells. An advanced analogue of this series, ML267 (55), was found to attenuate production of an Sfp-PPTase-dependent metabolite when applied to Bacillus subtilis at sublethal doses. Additional testing revealed antibacterial activity against methicillin-resistant Staphylococcus aureus, and chemical genetic studies implicated efflux as a mechanism for resistance in Escherichia coli. Additionally, we highlight the in vitro absorption, distribution, metabolism; and excretion and in vivo pharmacokinetic profiles of compound 55 to further demonstrate the potential utility of this small-molecule inhibitor.

  DOI：

  10.1021/jm401752p

文献信息

• Ultrathin Multilayered Films for Controlled Release of Anionic Reagents
  申请人：Lynn David M.

  公开号：US20090105375A1

  公开（公告）日：2009-04-23

  Multilayered films, particularly ultrathin multilayered films comprising cationic polymers which are useful for controlled release of anionic species, particularly for controlled release of nucleic acids. The multilayer films herein are useful for temporal controlled released of anionic species, particularly one or more anionic peptides, proteins, nucleic acids or other anionic biological agents. In one aspect, the invention relates to multilayer films which release anionic species (anions) with separate and/or distinct release profiles, particularly wherein the anions are one or more anionic peptides, proteins or nucleic acids or other anionic biological agents
• ANIONIC CHARGE-DYNAMIC POLYMERS FOR RELEASE OF CATIONIC AGENTS
  申请人：Liu Xianghui

  公开号：US20100048736A1

  公开（公告）日：2010-02-25

  Materials and methods for the generation of polyelectrolyte multilayers that can erode to release cationic components. The multilayers comprise layers that contain one or more cations and one or more charge-dynamic anionic polymers. Charge-dynamic anionic polymers contain side chains having removable functional groups. Removal of the functional groups results in a change in the net change in the charge of the polymer which can disrupt interactions between cations and the anionic polymers and facilitate release of cations.
• Anionic Charge-Dynamic Polymers for Release of Cationic Agents
  申请人：LIU Xianghui

  公开号：US20130122055A1

  公开（公告）日：2013-05-16

  Materials and Methods for the generation of polyelectrolyte multilayers that can erode to release cationic components. The multilayers comprise layers that contain one or more cations and one or more charge-dynamic anionic polymers. Charge-dynamic anionic polymers contain side chains having removable functional groups. Removal of the functional groups results in a change in the net change in the charge of the polymer which can disrupt interactions between cations and the anionic polymers and facilitate release of cations.
• US8324333B2
  申请人：——

  公开号：US8324333B2

  公开（公告）日：2012-12-04
• US8574420B2
  申请人：——

  公开号：US8574420B2

  公开（公告）日：2013-11-05