tert-butyl 4-[3-amino-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate | 1529769-51-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl 4-[3-amino-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate
• CAS: 1529769-51-4
• 化学式: C₁₇H₂₃F₃N₂O₂
• 分子量: 344.377
• InChiKey: YBYABRMWRIJHPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  55.56
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-[3-amino-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以181 mg的产率得到3-(1-methyl-4-piperidyl)-5-(trifluoromethyl)aniline
  参考文献：
  名称：

  [EN] NOVEL INHIBITORS OF MAP4K1
  [FR] NOUVEAUX INHIBITEURS DE MAP4K1

  摘要：

  本发明涉及新的MAP4K1（HPK1）抑制剂，用于治疗由与MAPK激活相关的信号转导途径失调引起的疾病或病症，包括过度增殖性疾病、免疫系统功能障碍性疾病、炎症性疾病、神经系统疾病和心血管疾病。本发明进一步涉及包含相同抑制剂的药物组合物以及治疗所述疾病和病症的方法。所述抑制剂的结构式为(I)，其中A、D、E、F、R5、R6、R7、Z、环Q、n、x和y的定义如申请中所述。

  公开号：

  WO2018215668A1
• 作为产物：
  描述：

  tert-butyl 4-(3-nitro-5-(trifluoromethyl)phenyl)-5,6-dihydropyridine-1(2H)-carboxylate 在 钯 氢气 作用下， 以 乙醇 为溶剂， 反应 48.0h， 以to yield a white solid (220 mg, 73.9%)的产率得到tert-butyl 4-[3-amino-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate
  参考文献：
  名称：

  CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS

  摘要：

  提供了环丙烷羧酰胺取代的芳香化合物，可抑制蛋白激酶，并在抗肿瘤领域中使用。特别是，提供了酪氨酸激酶抑制剂和Raf激酶抑制剂作为抗肿瘤剂，它们的制备、制药组成、以及它们在癌症治疗中的使用。

  公开号：

  US20150197511A1

文献信息

• [EN] CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS<br/>[FR] COMPOSÉS AROMATIQUES CYCLOPROPANECARBOXAMIDO-SUBSTITUÉS UTILISABLES EN TANT QU'AGENTS ANTI-TUMORAUX
  申请人：CROWN BIOSCIENCE INC TAICANG

  公开号：WO2014000418A1

  公开（公告）日：2014-01-03

  Provided are cyclopropanecarboxamido-substituted aromatic compounds that inhibit protein kinases and their use in anti-tumor area. In particular, tyrosine-kinase inhibitors and Raf-kinase inhibitors as anti-tumor agents, their preparation, pharmaceutical composition, and their use in the treatment of cancer are also provided.

  提供了环丙烷羧酰胺取代的芳香化合物，其抑制蛋白激酶并在抗肿瘤领域中的应用。特别是作为抗肿瘤药物的酪氨酸激酶抑制剂和Raf激酶抑制剂，还提供了它们的制备、药物组成以及它们在癌症治疗中的应用。
• Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents
  申请人：Crown Bioscience Inc. (Taiwan)

  公开号：US09359338B2

  公开（公告）日：2016-06-07

  Provided are cyclopropanecarboxamido-substituted aromatic compounds that inhibit protein kinases and their use in anti-tumor area. In particular, tyrosine-kinase inhibitors and Raf-kinase inhibitors as anti-tumor agents, their preparation, pharmaceutical composition, and their use in the treatment of cancer are also provided.

  提供了环丙烷羧酰胺取代的芳香化合物，它们能够抑制蛋白激酶并在抗肿瘤领域中使用。特别是酪氨酸激酶抑制剂和Raf激酶抑制剂作为抗肿瘤剂，它们的制备、制药组合物以及在癌症治疗中的使用也被提供。
• Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule
  作者：Christofer S. Tautermann、Florian Binder、Frank H. Büttner、Christian Eickmeier、Dennis Fiegen、Ulrike Gross、Marc A. Grundl、Ralf Heilker、Scott Hobson、Stefan Hoerer、Andreas Luippold、Volker Mack、Florian Montel、Stefan Peters、Supriyo Bhattacharya、Nagarajan Vaidehi、Gisela Schnapp、Sven Thamm、Markus Zeeb

  DOI：10.1021/acs.jmedchem.8b00857

  日期：2019.1.10

  Protein tyrosine phosphatase non-receptor type 5 (PTPN5, STEP) is a brain specific phosphatase that regulates synaptic function and plasticity by modulation of N-methyl-D-aspartate receptor (NMDAR) and alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptor (AMPAR) trafficking. Dysregulation of STEP has been linked to neurodegenerative and neuropsychiatric diseases, highlighting this enzyme as an attractive therapeutic target for drug discovery. Selective targeting of STEP with small molecules has been hampered by high conservation of the active site among protein tyrosine phosphatases. We report the discovery of the first small molecule allosteric activator for STEP that binds to the phosphatase domain. Allosteric binding is confirmed by both X-ray and N-15 NMR experiments, and specificity has been demonstrated by an enzymatic test cascade. Molecular dynamics simulations indicate stimulation of enzymatic activity by a long-range allosteric mechanism. To allow the scientific community to make use of this tool, we offer to provide the compound in the course of an open innovation initiative.
• CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS
  申请人：CB Therapeutics Inc.

  公开号：EP2864289B1

  公开（公告）日：2018-04-11
• NOVEL INHIBITORS OF MAP4K1
  申请人：Ichnos Sciences SA

  公开号：EP3630778A1

  公开（公告）日：2020-04-08