benzyl 4-(4-{(1S)-1-[(tert-butoxycarbonyl)amino]ethyl}benzoyl)piperidine-1-carboxylate | 1037252-72-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: benzyl 4-(4-{(1S)-1-[(tert-butoxycarbonyl)amino]ethyl}benzoyl)piperidine-1-carboxylate
• 英文别名: benzyl-4-(4-{(1S)-1-[(tert-butoxycarbonyl)amino]ethyl}benzoyl)piperidine-1-carboxylate；benzyl 4-[4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoyl]piperidine-1-carboxylate
• CAS: 1037252-72-4
• 化学式: C₂₇H₃₄N₂O₅
• 分子量: 466.577
• InChiKey: SGHLIDFIGPEARR-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzyl 4-(4-{(1S)-1-[(tert-butoxycarbonyl)amino]ethyl}benzoyl)piperidine-1-carboxylate 在 sodium tetrahydroborate 、 水 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 benzyl 4-[(4-{(1S)-1-[(tert-butoxycarbonyl)amino]ethyl}phenyl)(hydroxy)methyl]piperidine-1-carboxylate
  参考文献：
  名称：

  WO2008/81910

  摘要：

  公开号：

文献信息

• Novel aminopyrimidine derivatives as PLK1 inhibitors
  申请人：Hashihayata Takashi

  公开号：US20080305081A1

  公开（公告）日：2008-12-11

  The present invention relates to a compound represented by Formula [I]: or a pharmaceutically acceptable salt or ester thereof, wherein R 1 and R 2 , which may be the same or different, are each a hydrogen atom, a lower alkyl group, a cycloalkyl group, or the like; R 3 and R 4 , which may be the same or different, are each a hydrogen atom, a lower alkyl group, NR a R b , a phenyl group, a lower alkyl group substituted with a phenyl group, a 4- to 7-membered aliphatic heterocyclic group, a lower alkyl group substituted with a 4- to 7-membered aliphatic heterocyclic group, a 5- or 6-membered aromatic heterocyclic group, a lower alkyl group substituted with a 5- or 6-membered aromatic heterocyclic group, or the like; and R 5 is a hydrogen atom, a cyano group, a halogen atom, or a lower alkyl group.

  本发明涉及由公式[I]表示的化合物，或其药学上可接受的盐或酯，其中R1和R2（可以相同也可以不同）分别是氢原子、低碳基、环烷基或类似物；R3和R4（可以相同也可以不同）分别是氢原子、低碳基、NRaRb、苯基、带苯基的低碳基、4-至7-成员的脂环杂环基、带4-至7-成员的脂环杂环基的低碳基、5-或6-成员的芳香杂环基、带5-或6-成员的芳香杂环基的低碳基或类似物；R5是氢原子、氰基、卤素原子或低碳基。
• Aminopyrimidine derivatives as PLK1 inhibitors
  申请人：Banyu Pharmaceutical Co. Ltd

  公开号：US07977336B2

  公开（公告）日：2011-07-12

  The present invention relates to a compound represented by Formula [I]: or a pharmaceutically acceptable salt or ester thereof, wherein R1 and R2, which may be the same or different, are each a hydrogen atom, a lower alkyl group, a cycloalkyl group, or the like; R3 and R4, which may be the same or different, are each a hydrogen atom, a lower alkyl group, NRaRb, a phenyl group, a lower alkyl group substituted with a phenyl group, a 4-to 7-membered aliphatic heterocyclic group, a lower alkyl group substituted with a 4- to 7-membered aliphatic heterocyclic group, a 5-or 6-membered aromatic heterocyclic group, a lower alkyl group substituted with a 5-or 6-membered aromatic heterocyclic group, or the like; and R5 is a hydrogen atom, a cyano group, a halogen atom, or a lower alkyl group.

  本发明涉及一种由式[I]表示的化合物，或其药学上可接受的盐或酯，其中R1和R2，可以相同也可以不同，分别是氢原子，低碳基，环烷基或类似物；R3和R4，可以相同也可以不同，分别是氢原子，低碳基，NRaRb，苯基，带有苯基的低碳基，4-至7-成员脂环杂环基，带有4-至7-成员脂环杂环基的低碳基，5-或6-成员芳香杂环基，带有5-或6-成员芳香杂环基的低碳基或类似物；而R5是氢原子，氰基，卤素原子或低碳基。
• NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP2116543A1

  公开（公告）日：2009-11-11

  The present invention relates to a compound represented by Formula [I]: or a pharmaceutically acceptable salt or ester thereof, wherein R1 and R2, which may be the same or different, are each a hydrogen atom, a lower alkyl group, a cycloalkyl group, or the like; R3 and R4, which may be the same or different, are each a hydrogen atom, a lower alkyl group, NRaRb, a phenyl group, a lower alkyl group substituted with a phenyl group, a 4- to 7-membered aliphatic heterocyclic group, a lower alkyl group substituted with a 4- to 7-membered aliphatic heterocyclic group, a 5- or 6-membered aromatic heterocyclic group, a lower alkyl group substituted with a 5- or 6-membered aromatic heterocyclic group, or the like; and R5 is a hydrogen atom, a cyano group, a halogen atom, or a lower alkyl group.

  本发明涉及一种由式 [I] 表示的化合物： 或其药学上可接受的盐或酯，其中R1和R2可以相同或不同，各自为氢原子、低级烷基、环烷基或类似物；R3 和 R4（可以相同或不同）各自是氢原子、低级烷基、NRaRb、苯基、被苯基取代的低级烷基、4-7 元脂肪杂环基、被 4-7 元脂肪杂环基取代的低级烷基、5-或 6 元芳香杂环基、被 5-6 元芳香杂环基取代的低级烷基或类似基团；R5 是氢原子、氰基、卤素原子或低级烷基。
• NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP2114942A1

  公开（公告）日：2009-11-11
• US7977336B2
  申请人：——

  公开号：US7977336B2

  公开（公告）日：2011-07-12