2,2,2-三氟-N-哌啶-4-甲基乙酰胺 | 444617-44-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 2,2,2-三氟-N-哌啶-4-甲基乙酰胺
• 英文名称: 2,2,2-Trifluoro-N-(piperidin-4-ylmethyl)acetamide
• CAS: 444617-44-1
• 化学式: C₈H₁₃F₃N₂O
• mdl: MFCD01595571
• 分子量: 210.199
• InChiKey: RYNQCCFPMZMXIQ-UHFFFAOYSA-N

物化性质

• 沸点：
  275.5±40.0 °C(Predicted)
• 密度：
  1.175±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,2,2-三氟-N-哌啶-4-甲基乙酰胺 在 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 26.0h， 生成 4-aminomethyl-N¹-[(2-trimethylsilyl)ethoxycarbonyl]piperidine
  参考文献：
  名称：

  Solid-Phase Synthesis of Rigid Acylpolyamines Using Temporary N-4,4‘-Dimethoxytrityl Protection in the Presence of Trityl Linkers

  摘要：

  An N-protection protocol employing the 4,4'-dimethoxytrityl (Dmt) group in combination with borane reduction of resin-bound polyamides was shown to be an efficient methodology that enables synthesis of novel analogues of natural acylpolyamine toxins. Thus, three philanthotoxins containing polyamine chains with piperidyl and cyclohexyl structural elements, which introduce conformational rigidity, increased lipophilicity, and altered proteolytic properties, were obtained in 39-44% overall yield.

  DOI：

  10.1021/jo049278q
• 作为产物：
  描述：

  三氟乙酸乙酯 、 4-氨甲基哌啶 以 甲醇 为溶剂， 反应 2.0h， 生成 2,2,2-三氟-N-哌啶-4-甲基乙酰胺
  参考文献：
  名称：

  Solid-Phase Synthesis of Rigid Acylpolyamines Using Temporary N-4,4‘-Dimethoxytrityl Protection in the Presence of Trityl Linkers

  摘要：

  An N-protection protocol employing the 4,4'-dimethoxytrityl (Dmt) group in combination with borane reduction of resin-bound polyamides was shown to be an efficient methodology that enables synthesis of novel analogues of natural acylpolyamine toxins. Thus, three philanthotoxins containing polyamine chains with piperidyl and cyclohexyl structural elements, which introduce conformational rigidity, increased lipophilicity, and altered proteolytic properties, were obtained in 39-44% overall yield.

  DOI：

  10.1021/jo049278q

文献信息

• NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM
  申请人：Pelletier Jeffrey Claude

  公开号：US20090054392A1

  公开（公告）日：2009-02-26

  The present invention relates to naphthylpyrimidine analogs, methods of making naphthylpyrimidine analogs, compositions comprising a naphthylpyrimidine analog, and methods for treating canonical Wnt-β-catenin cellular messaging system-related disorders comprising administering to a subject in need thereof an effective amount of a naphthylpyrimidine, naphthylpyrazine and naphthylpyridazine analog.

  本发明涉及萘基嘧啶类似物、制备萘基嘧啶类似物的方法、包含萘基嘧啶类似物的组合物以及治疗与经典Wnt-β-catenin细胞信息传递系统相关的疾病的方法，包括向需要治疗的受试者投予有效量的萘基嘧啶、萘基吡嗪和萘基吡啶类似物。
• Oligo or polyalkylene glycol-coupled thrombin inhibitors
  申请人：Steinmetzer Torsten

  公开号：US20050070479A1

  公开（公告）日：2005-03-31

  The present invention relates to novel covalent oligo and polyalkylene glycol conjugates with synthetic inhibitors of trypsin-type serine proteases, in particular inhibitors of the hemocoagulation protease thrombin, synthetic intermediates stages required in their production and their use for producing active ingredients for the treatment or prophylaxis of thrombotic complications.

  本发明涉及一种新型共价寡聚体和聚乙二醇共轭物，其与合成的胰蛋白酶类丝氨酸蛋白酶抑制剂相关，特别是与血液凝固蛋白酶凝血酶的抑制剂相关。本发明还涉及其生产所需的合成中间体阶段及其用于制备治疗或预防血栓并发症的活性成分。
• Cyclohexyl-1, 4-diamine compounds
  申请人：Sundermann Corinna

  公开号：US20070112007A1

  公开（公告）日：2007-05-17

  Novel cyclohexyl-1,4-diamine compounds corresponding to formula I, processes for the production thereof, pharmaceutical compositions containing these compounds, methods of producing pharmaceutical compositions including these compounds and related methods of treating or inhibiting certain diseases or conditions.

  新型环己基-1,4-二胺化合物对应于式I，其生产方法，包含这些化合物的药物组合物，制备包含这些化合物的药物组合物的方法以及相关的治疗或抑制某些疾病或状况的方法。
• Pyrimidine derivatives and their use as CB2 modulators
  申请人：Eatherton John Andrew

  公开号：US20060293354A1

  公开（公告）日：2006-12-28

  The present invention relates to novel pyrimidine derivatives, pharmaceutical compositions containing these compounds and their use in the treatment of diseases, particularly pain, which diseases are caused directly or indirectly by an increase or decrease in activity of the cannabinoid receptor.

  本发明涉及新型嘧啶衍生物、含有这些化合物的药物组合物以及它们在治疗疾病，特别是由大麻素受体活性的增加或减少直接或间接引起的疼痛方面的用途。
• Pyrimidine Derivatives And Their Use As CB2 Modulators
  申请人：Eatherton Andrew John

  公开号：US20100041654A1

  公开（公告）日：2010-02-18

  This relates to novel pyrimidine derivatives, pharmaceutical compositions containing these compounds and their use in the treatment of diseases, particularly pain, which diseases are caused directly or indirectly by an increase or decrease in activity of the cannabinoid receptor.

  本发明涉及新的嘧啶衍生物、含有这些化合物的药物组合物以及它们在治疗疾病中的应用，特别是治疗由于大麻素受体活性增加或减少而直接或间接引起的疼痛等疾病。