(1S,4S)-叔-丁基5-(4-(甲酯基)苯甲基)-2,5-二氮杂二环[2.2.1]庚烷-2-甲酸基酯 | 927679-46-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (1S,4S)-叔-丁基5-(4-(甲酯基)苯甲基)-2,5-二氮杂二环[2.2.1]庚烷-2-甲酸基酯
• 英文名称: 1,1-dimethylethyl (1S,4S)-5-[[4-(methoxycarbonyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1 ]heptane-2-carboxylate
• 英文别名: 1,1-dimethylethyl (1S,4S)-5-[[4-(methoxycarbonyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate；tert-butyl (1S,4S)-5-[4-(methoxycarbonyl)benzyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate；(1S,4S)-tert-butyl 5-(4-(methoxycarbonyl)benzyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate；tert-butyl (1S,4S)-5-[(4-methoxycarbonylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
• CAS: 927679-46-7
• 化学式: C₁₉H₂₆N₂O₄
• 分子量: 346.426
• InChiKey: RGAWJXRBKYJCHA-HOTGVXAUSA-N

物化性质

• 沸点：
  446.3±45.0 °C(Predicted)
• 密度：
  1.191±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1S,4S)-叔-丁基5-(4-(甲酯基)苯甲基)-2,5-二氮杂二环[2.2.1]庚烷-2-甲酸基酯 在 盐酸 、 potassium carbonate 作用下， 反应 18.0h， 以97%的产率得到methyl 4-[[(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl]methyl]benzoate
  参考文献：
  名称：

  Diamine derivatives as inhibitors of leukotriene A4 hydrolase

  摘要：

  这项发明涉及式(I)的化合物： 其中r、q、R、R2、R3、R4、R5a、R5b、R5c、R6a、R6b、R6c、R7、R8和R9如本文所述，可以是单一立体异构体或立体异构体混合物，或其药学上可接受的盐、溶剂合物、包合物、多型体、铵离子、N-氧化物或其前药；这些化合物是白三烯A4水解酶抑制剂，因此在治疗炎症性疾病中有用。还公开了包括该发明化合物的药物组合物以及制备该发明化合物的方法。

  公开号：

  US20070155726A1
• 作为产物：
  描述：

  对氯苯甲酸甲酯 、 (1S,4S)-2-Boc-2,5-二氮双环[2.2.1]庚烷 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 144.0h， 以80%的产率得到(1S,4S)-叔-丁基5-(4-(甲酯基)苯甲基)-2,5-二氮杂二环[2.2.1]庚烷-2-甲酸基酯
  参考文献：
  名称：

  WO2007/23382

  摘要：

  公开号：

文献信息

• Amide inhibitors of leukotriene A4 hydrolase
  申请人：Chen Ming

  公开号：US20070155727A1

  公开（公告）日：2007-07-05

  This invention is directed to compounds of formula (I): where r, q, R, R 2 , R 3 , R 4a , R 4b , R 4c , R 5a , R 5b , R 5c , R 6a , R 6b , R 6c , R 7 , R 8 , R 9 and R 10 are described herein, or pharmaceutically acceptable salts, solvates, polymorphs, ammonium ions, N-oxides or prodrugs thereof; which are leukotriene A 4 hydrolase inhibitors and which are therefore useful in treating inflammatory disorders. Pharmaceutical compositions comprising the compounds of the invention and methods of using and preparing the compounds of the invention are also disclosed.

  本发明涉及式(I)的化合物：其中r、q、R、R2、R3、R4a、R4b、R4c、R5a、R5b、R5c、R6a、R6b、R6c、R7、R8、R9和R10如本文所述，或其药学上可接受的盐、溶剂化物、多晶体、铵离子、N-氧化物或前药；它们是白三烯A4水解酶抑制剂，因此在治疗炎症性疾病方面有用。本发明还揭示了包括本发明化合物的制药组合物以及使用和制备本发明化合物的方法。
• Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase
  申请人：Arnaiz Damian

  公开号：US20100210630A1

  公开（公告）日：2010-08-19

  This invention is directed to compounds of formula (I): where r, q, R, R 2 , R 3 , R 4 , R 5a , R 5b , R 5c , R 6a , R 6b , R 6c , R 7 , R 8 , and R 9 are described herein, as single stereoisomers or as mixtures of stereoisomers, or pharmaceutically acceptable salts, solvates, clathrates, polymorphs, ammonium ions, N-oxides or prodrugs thereof; which are leukotriene A 4 hydrolase inhibitors and therefore useful in treating inflammatory disorders. Pharmaceutical compositions comprising the compounds of the invention and methods of preparing the compounds of the invention are also disclosed.

  本发明涉及式(I)的化合物：其中r、q、R、R2、R3、R4、R5a、R5b、R5c、R6a、R6b、R6c、R7、R8和R9如本文所述，作为单一立体异构体或立体异构体混合物，或其药学上可接受的盐、溶剂化合物、包合物、多晶形、铵离子、N-氧化物或其前药；这些化合物是白三烯A4水解酶抑制剂，因此在治疗炎症性疾病方面有用。本发明还公开了包含所述化合物的制药组合物和制备所述化合物的方法。
• DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE
  申请人：Celtaxsys, Inc.

  公开号：US20130123243A1

  公开（公告）日：2013-05-16

  This invention is directed to compounds of formula (I): where r, q, R, R 2 , R 3 , R 4 , R 5a , R 5b , R 5c , R 6a , R 6b , R 6c , R 7 , R 8 , and R 9 are described herein, as single stereoisomers or as mixtures of stereoisomers, or pharmaceutically acceptable salts, solvates, clathrates, polymorphs, ammonium ions, N-oxides or prodrugs thereof; which are leukotriene A 4 hydrolase inhibitors and therefore useful in treating inflammatory disorders. Pharmaceutical compositions comprising the compounds of the invention and methods of preparing the compounds of the invention are also disclosed.

  该发明涉及式(I)的化合物：其中r、q、R、R2、R3、R4、R5a、R5b、R5c、R6a、R6b、R6c、R7、R8和R9在此描述，作为单一立体异构体或立体异构体混合物，或其药学上可接受的盐、溶剂化合物、包合物、多晶形、铵离子、N-氧化物或其前药；它们是白三烯A4水解酶抑制剂，因此在治疗炎症性疾病方面有用。还揭示了包含该发明化合物的制药组合物和制备该发明化合物的方法。
• [EN] PYRIMIDINE AMINO PYRAZOLE COMPOUNDS, POTENT KINASE INHIBITORS<br/>[FR] COMPOSES DE PYRIMIDINE AMINO PYRAZOLE, PUISSANTS INHIBITEURS DE KINASE
  申请人：PFIZER

  公开号：WO2007023382A2

  公开（公告）日：2007-03-01

  [EN] Pyrrole pyrazole compounds of formula I, compositions including these compounds, and methods of their use are provided. Ring A is optionally substituted. The ring formed by Z¹, Z², Z³, Z⁴ and the two intervening carbons is also optionally substituted. Preferred compounds of formula I have activity as protein kinase inhibitors, including as inhibitors of PAK4.
  [FR] L'invention concerne des composés de pyrrole pyrazole représentés par la formule (I), des compositions comprenant ces composés et leurs méthodes d'utilisation. Le noyau A est éventuellement substitué. Le noyau constitué par Z¹, Z², Z³, Z⁴ et les deux carbones intermédiaires est également éventuellement substitué. Les composés préférés représentés par la formule (I) jouent un rôle d'inhibiteurs de protéine kinase et, également d'inhibiteurs de PAK4.
• Diamine derivatives as inhibitors of leukotriene A4 hydrolase
  申请人：Arnaiz Damian

  公开号：US20070155726A1

  公开（公告）日：2007-07-05

  This invention is directed to compounds of formula (I): where r, q, R, R 2 , R 3 , R 4 , R 5a , R 5b , R 5c , R 6a , R 6b , R 6c , R 7 , R 8 , and R 9 are described herein, as single stereoisomers or as mixtures of stereoisomers, or pharmaceutically acceptable salts, solvates, clathrates, polymorphs, ammonium ions, N-oxides or prodrugs thereof; which are leukotriene A 4 hydrolase inhibitors and therefore useful in treating inflammatory disorders. Pharmaceutical compositions comprising the compounds of the invention and methods of preparing the compounds of the invention are also disclosed.

  这项发明涉及式(I)的化合物： 其中r、q、R、R2、R3、R4、R5a、R5b、R5c、R6a、R6b、R6c、R7、R8和R9如本文所述，可以是单一立体异构体或立体异构体混合物，或其药学上可接受的盐、溶剂合物、包合物、多型体、铵离子、N-氧化物或其前药；这些化合物是白三烯A4水解酶抑制剂，因此在治疗炎症性疾病中有用。还公开了包括该发明化合物的药物组合物以及制备该发明化合物的方法。