4-[((1S)-1-氨乙基]哌啶-1-羧酸叔丁酯 | 1036027-87-8

• 物质功能分类: 医药中间体
• 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: 4-[((1S)-1-氨乙基]哌啶-1-羧酸叔丁酯
• 英文名称: 4-((S)-1-amino-ethyl)-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-[(1S)-1-aminoethyl]piperidine-1-carboxylate
• CAS: 1036027-87-8
• 化学式: C₁₂H₂₄N₂O₂
• 分子量: 228.335
• InChiKey: FQUVAASUKJSNRV-VIFPVBQESA-N

物化性质

• 沸点：
  310.3±15.0 °C(Predicted)
• 密度：
  1.019±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 储存条件：
  应存于2-8°C环境中，避免光照，并在惰性气体保护下保存。

反应信息

• 作为反应物：
  描述：

  4-[((1S)-1-氨乙基]哌啶-1-羧酸叔丁酯 在 四(三苯基膦)钯 、 乙醇 、 水 、 碳酸氢钠 、 sodium hydroxide 作用下， 以 N-甲基吡咯烷酮 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 3-(((1S)-1-[1-(tert-butoxycarbonyl)piperidin-4-yl]ethyl)amino)-5-fluoro-4-(trifluoromethyl)benzoic acid
  参考文献：
  名称：

  EP3882239

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl (S)-4-(1-aminoethyl)piperidine-1-carboxylate (S)-2-hydroxy-2-phenylacetate 在 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 生成 4-[((1S)-1-氨乙基]哌啶-1-羧酸叔丁酯
  参考文献：
  名称：

  WO2008/79346

  摘要：

  公开号：

文献信息

• [EN] PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES<br/>[FR] DÉRIVÉS PYRAZINE PHARMACEUTIQUEMENT ACTIFS
  申请人：SENTINEL ONCOLOGY LTD

  公开号：WO2013072502A1

  公开（公告）日：2013-05-23

  The invention provides compounds which inhibit or modulate the activity of Chk-1 kinase and which are useful in the treatment of cancer. The compounds have the general formula (1) and salts, N-oxides and tautomers thereof, wherein m is 2, 3 or 4; n is 0 or 1; Q1 is selected from a bond; C(=O); S(O); SO2; and an alkylene chain of 1 to 4 carbon atoms in length between the moiety R4 and the nitrogen atom N, wherein (a) one or more of the 1 to 4 carbon atoms of the alkylene chain may optionally be substituted with one or two C1-4 alkyl groups; and/or (b) one carbon atom of the 1 to 4 carbon atoms of the alkylene chain may optionally be replaced by a cyclopropane-1,1 -diyl or 1,1-cyclobutanediyl group; and/or (c) one carbon atom of the 1 to 4 carbon atoms of the alkylene chain may optionally be replaced by C(=O), S(O), or SO2, provided that Q1 contains no more than one C(=O), S(O), or SO2 moiety; R1 is selected from hydrogen, methyl, chlorine and bromine; R2 is selected from hydrogen, methyl, methoxy and a group -(O)p-Q2-R5; R3 is selected from hydrogen, a group Hyd1, a group -O-Hyd1 and a group -(O)p-Q2-R5; provided that when one of R2 and R3 is -(O)p-Q2-R5, the other is selected from hydrogen, methoxy and methyl; and R4 is selected from amino, NH- Hyd2, N(Hyd2)2; and a non-aromatic carbocyclic or heterocyclic ring of 4 to 7 ring members containing 0, 1, 2 or 3 heteroatom ring members selected from O, N and S and oxidised forms thereof; the carbocyclic or heterocyclic ring being optionally substituted with one or two substituents R9. Also provided are pharmaceutical compositions containing the compounds and methods for making the compounds.

  该发明提供了一种抑制或调节Chk-1激酶活性的化合物，用于治疗癌症。这些化合物具有一般式(1)及其盐、N-氧化物和互变异构体，其中m为2、3或4；n为0或1；Q1从键中选择；C(=O)；S(O)；SO2；以及在基团R4和氮原子N之间长度为1到4个碳原子的烷基链中选择的一个烷基链，其中(a)烷基链的1到4个碳原子中的一个或多个可选择地被一个或两个C1-4烷基基团取代；和/或(b)烷基链的1到4个碳原子中的一个碳原子可选择地被环丙烷-1,1-二基或1,1-环丁二基基团取代；和/或(c)烷基链的1到4个碳原子中的一个碳原子可选择地被C(=O)、S(O)或SO2取代，前提是Q1不含多于一个C(=O)、S(O)或SO2基团；R1从氢、甲基、氯和溴中选择；R2从氢、甲基、甲氧基和一个基团-(O)p-Q2-R5中选择；R3从氢、基团Hyd1、基团-O-Hyd1和基团-(O)p-Q2-R5中选择；前提是当R2和R3中的一个为-(O)p-Q2-R5时，另一个从氢、甲氧基和甲基中选择；R4从氨基、NH-Hyd2、N(Hyd2)2；和含有0、1、2或3个异原子环成员（O、N和S）及其氧化形式的非芳香碳环或杂环，环可选择地用一个或两个取代基R9取代。还提供了含有这些化合物的药物组合物和制备这些化合物的方法。
• Pharmaceutically Active Pyrazine Derivatives
  申请人：Sentinel Oncology Limited

  公开号：US20140323484A1

  公开（公告）日：2014-10-30

  The invention provides compounds which inhibit or modulate the activity of Chk-1 kinase and which are useful in the treatment of cancer. The compounds have the general formula (1): and salts, N-oxides and tautomers thereof, wherein m is 2, 3 or 4; n is 0 or 1; Q 1 is selected from a bond; C(═O); S(O); SO 2 ; and an alkylene chain of 1 to 4 carbon atoms in length between the moiety R 4 and the nitrogen atom. N, wherein (a) one or more of the 1 to 4 carbon atoms of the alkylene chain may optionally be substituted with one or two C 1-4 alkyl groups; and/or (b) one carbon atom of the 1 to 4 carbon atoms of the alkylene chain may optionally be replaced by a cyclopropane-1,1-diyl or 1,1-cyclobutanediyl group; and/or (c) one carbon atom of the 1 to 4 carbon atoms of the alkylene chain may optionally be replaced by C(═O), S(O), or SO 2 , provided that Q 1 contains no more than one C(═O), S(O), or SO 2 moiety; R 1 is selected from hydrogen, methyl, chlorine and bromine; R 2 is selected from hydrogen, methyl, methoxy and a group —(O) p -Q 2 -R 5 ; R 3 is selected from hydrogen, a group Hyd 1 , a group —O-Hyd 1 and a group —(O) p -Q 2 -R 5 ; provided that when one of R 2 and R 3 is —(O) p -Q 2 -R 5 , the other is selected from hydrogen, methoxy and methyl; and R 4 is selected from amino, NH-Hyd 2 , N(Hyd 2 ) 2 ; and a non-aromatic carbocyclic or heterocyclic ring of 4 to 7 ring members containing 0, 1, 2 or 3 heteroatom ring members selected from O, N and S and oxidised forms thereof; the carbocyclic or heterocyclic ring being optionally substituted with one or two substituents R 9 . Also provided are pharmaceutical compositions containing the compounds and methods for making the compounds.

  该发明提供了抑制或调节Chk-1激酶活性的化合物，适用于癌症治疗。这些化合物具有一般式（1）：和其盐、N-氧化物和互变异构体，其中m为2、3或4；n为0或1；Q1选自键；C(═O)；S(O)；SO2；和长度为1至4个碳原子的烷基链，该链位于基团R4和氮原子之间。N，其中（a）烷基链的1至4个碳原子中的一个或多个可选择地被一个或两个C1-4烷基基团取代；和/或（b）烷基链的1至4个碳原子中的一个碳原子可选择地被环丙烷-1,1-二基或1,1-环丁烷二基团取代；和/或（c）烷基链的1至4个碳原子中的一个碳原子可选择地被C(═O)、S(O)或SO2取代，前提是Q1不含多于一个C(═O)、S(O)或SO2基团；R1选自氢、甲基、氯和溴；R2选自氢、甲基、甲氧基和基团—(O)p-Q2-R5；R3选自氢、基团Hyd1、基团—O-Hyd1和基团—(O)p-Q2-R5；前提是当R2和R3中的一个是—(O)p-Q2-R5时，另一个选自氢、甲氧基和甲基；R4选自氨基、NH-Hyd2、N(Hyd2)2；和含有0、1、2或3个杂原子环成员（O、N和S及其氧化形式）的非芳香碳环或杂环，环可选择地被一个或两个取代基R9取代。还提供了含有这些化合物的药物组合物和制备这些化合物的方法。
• [EN] MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE<br/>[FR] MODULATEURS D'INDOLAMINE 2,3-DIOXYGÉNASE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019003141A1

  公开（公告）日：2019-01-03

  Provided are IDO inhibitor compounds of Formula I and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and methods for their use in the prevention and/or treatment of diseases. Formula I

  提供了公式I的IDO抑制剂化合物及其药用盐，它们的药物组合物，它们的制备方法以及在预防和/或治疗疾病中使用的方法。公式I
• 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS
  申请人：Mortimore Michael

  公开号：US20100189773A1

  公开（公告）日：2010-07-29

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及用作蛋白激酶抑制剂的化合物。本发明还提供了包含所述化合物的药学上可接受的组合物以及使用这些组合物治疗各种疾病、状况或障碍的方法。本发明还提供了制备本发明化合物的方法。
• 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS
  申请人：Mortimore Michael

  公开号：US20120309963A1

  公开（公告）日：2012-12-06

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及用作蛋白激酶抑制剂的化合物。本发明还提供了包含所述化合物的药学上可接受的组合物以及使用该组合物治疗各种疾病、病况或疾患的方法。本发明还提供了制备本发明化合物的方法。