(1S)-1-{4-[(1S)-1-aminoethyl]phenyl}-2-(tert-butylamino)ethanol | 1037254-47-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (1S)-1-{4-[(1S)-1-aminoethyl]phenyl}-2-(tert-butylamino)ethanol
• 英文别名: Mk-1496；(1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol
• CAS: 1037254-47-9
• 化学式: C₁₄H₂₄N₂O
• 分子量: 236.357
• InChiKey: KUHBBYPXWKYKKR-GXFFZTMASA-N

物化性质

• 沸点：
  352.2±21.0 °C(Predicted)
• 密度：
  1.015±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  58.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-chloro-3-(2-chloro-5-fluoropyrimidin-4-yl)imidazo[1,2-a]pyridine 、 (1S)-1-{4-[(1S)-1-aminoethyl]phenyl}-2-(tert-butylamino)ethanol 在 sodium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 2.0h， 生成 (1S)-2-(tert-butylamino)-1-[4-((1S)-1-{[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino}ethyl)phenyl]ethanol
  参考文献：
  名称：

  WO2008/81910

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl ((1S)-1-{4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]phenyl}ethyl)carbamate 在 三氟乙酸 作用下， 以 氯仿 为溶剂， 反应 1.0h， 生成 (1S)-1-{4-[(1S)-1-aminoethyl]phenyl}-2-(tert-butylamino)ethanol
  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：MSD K.K.

  公开号：EP2114942B1

  公开（公告）日：2012-10-31
• US7977336B2
  申请人：——

  公开号：US7977336B2

  公开（公告）日：2011-07-12