2-(叔丁氧基羰基氨基)-2-(哌啶-4-基)乙酸甲酯 | 219832-76-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-(叔丁氧基羰基氨基)-2-(哌啶-4-基)乙酸甲酯
• 中文别名: 甲基2-((叔丁氧基羰基)氨基)-2-(哌啶-4-基)乙酸乙酯
• 英文名称: methyl 2-((tert-butoxycarbonyl)amino)-2-(piperidin-4-yl)acetate
• 英文别名: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-4-ylacetate
• CAS: 219832-76-5
• 化学式: C₁₃H₂₄N₂O₄
• 分子量: 272.345
• InChiKey: YMRAMAYADDQJIS-UHFFFAOYSA-N

物化性质

• 沸点：
  386.3±17.0 °C(Predicted)
• 密度：
  1.076

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-(叔丁氧基羰基氨基)-2-(哌啶-4-基)乙酸甲酯 在 sodium tetrahydroborate 、 乙醇 、 三乙胺 、 calcium chloride 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 tert-butyl (2-hydroxy-1-(1-(methylsulfonyl)piperidin-4-yl)ethyl)carbamate
  参考文献：
  名称：

  [EN] BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA
  [FR] DÉRIVÉS DE BENZIMIDAZOLES UTILISÉS COMME MODULATEURS DE ROR-GAMMA

  摘要：

  公开号：

  WO2017132432A8
• 作为产物：
  描述：

  trimethyl 2-(tert-butoxycarbonylamino)phosphonoacetate 在 palladium on activated charcoal 氢气 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 26.5h， 生成 2-(叔丁氧基羰基氨基)-2-(哌啶-4-基)乙酸甲酯
  参考文献：
  名称：

  Potent and selective bicyclic lactam inhibitors of thrombin: Part 2: P1 Modifications

  摘要：

  The synthesis and antithrombotic activity of a series of nonpeptide bicyclic thrombin inhibitors is described. We have explored the SAR with modifications to the pi site. The introduction of arginine mimetics at the pi site led to potent and selective thrombin inhibitors. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00613-1

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。
• Inhibitors of protein kinases
  申请人：Song Yonghong

  公开号：US20090298823A1

  公开（公告）日：2009-12-03

  The present invention is directed to compounds of formula I-II and pharmaceutically acceptable salts, esters, and prodrugs thereof which are inhibitors of syk and/or JAK kinase. The present invention is also directed to intermediates used in making such compounds, the preparation of such a compound, pharmaceutical compositions containing such a compound, methods of inhibition syk and/or JAK kinase activity, methods of inhibition the platelet aggregation, and methods to prevent or treat a number of conditions mediated at least in part by syk and/or JAK kinase activity, such as undesired thrombosis and Non Hodgkin's Lymphoma.

  本发明涉及化合物I-II的公式及其药学上可接受的盐，酯和前药，它们是syk和/或JAK激酶的抑制剂。本发明还涉及制造这种化合物所使用的中间体，制备这种化合物的方法，包含这种化合物的制药组合物，抑制syk和/或JAK激酶活性的方法，抑制血小板聚集的方法，以及预防或治疗由syk和/或JAK激酶活性至少部分介导的许多疾病，如不良血栓形成和非何杰金淋巴瘤的方法。
• INHIBITORS OF PROTEIN KINASES
  申请人：Song Yonghong

  公开号：US20130029944A1

  公开（公告）日：2013-01-31

  The present invention is directed to compounds of formula I-II and pharmaceutically acceptable salts, esters, and prodrugs thereof which are inhibitors of syk and/or JAK kinase. The present invention is also directed to intermediates used in making such compounds, the preparation of such a compound, pharmaceutical compositions containing such a compound, methods of inhibition syk and/or JAK kinase activity, methods of inhibition the platelet aggregation, and methods to prevent or treat a number of conditions mediated at least in part by syk and/or JAK kinase activity, such as undesired thrombosis and Non Hodgkin's Lymphoma.

  本发明涉及式I-II化合物及其药学上可接受的盐、酯和前药，这些化合物是syk和/或JAK激酶的抑制剂。本发明还涉及用于制备这些化合物的中间体、制备这种化合物的方法、含有这种化合物的药物组合物、抑制syk和/或JAK激酶活性的方法、抑制血小板聚集的方法以及预防或治疗由syk和/或JAK激酶活性至少部分介导的多种疾病，例如不良血栓形成和非何杰金淋巴瘤的方法。
• Modular Synthesis of Cyclopropane‐Fused <i>N</i> ‐Heterocycles Enabled by Underexplored Diazo Reagents
  作者：Matthieu J. R. Richter、Frédéric J. Zécri、Karin Briner、Stuart L. Schreiber

  DOI：10.1002/anie.202203221

  日期：2022.9.19

  Modular synthesis of cyclopropane-fused N-heterocycles from readily available amines was achieved. Key to the disclosed strategy was the development and implementation of reactive α-diazo acylating agents, providing access to structurally and functionally diverse products. Application of the method is showcased in the concise syntheses of therapeutic agents milnaciprane and amitifadine.

  从容易获得的胺中实现了环丙烷稠合的N-杂环的模块化合成。所公开策略的关键是反应性α-重氮酰化剂的开发和实施，提供结构和功能多样化的产品。该方法在治疗药物米那普兰和阿米替发定的简明合成中得到应用。
• MODULATORS OF ROR-GAMMA
  申请人：Vitae Pharmaceuticals, LLC

  公开号：EP3939974A1

  公开（公告）日：2022-01-19

  Provided are novel compounds of Formula I: pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORγ. Also provided are pharmaceutical compositions comprising the novel compounds of Formula I and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.

  本文提供了式 I 的新型化合物： 其药学上可接受的盐及其药物组合物，可用于治疗由 RORγ 介导的疾病和失调。还提供了包含式 I 新型化合物的药物组合物及其用于治疗一种或多种炎症、代谢、自身免疫和其他疾病或紊乱的方法。