1-(2-bromo-5-fluoro-phenyl)-4-cyclohexylamino-8-(3-isopropoxy-benzyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene | 885115-00-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(2-bromo-5-fluoro-phenyl)-4-cyclohexylamino-8-(3-isopropoxy-benzyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene
• 英文别名: 1-(2-Bromo-5-fluorophenyl)-4-cyclohexylimino-8-[(3-propan-2-yloxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one；1-(2-bromo-5-fluorophenyl)-4-cyclohexylimino-8-[(3-propan-2-yloxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
• CAS: 885115-00-4
• 化学式: C₂₉H₃₆BrFN₄O₂
• 分子量: 571.533
• InChiKey: NEDTVMHEFDBPTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  57.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2-bromo-5-fluoro-phenyl)-4-cyclohexylamino-8-(3-isopropoxy-benzyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene 、 4-(N,N-二甲基氨基磺酰基)苯硼酸频那醇酯 在 trans-diacetylpalladium(II) bis(dicyclohexylamine) potassium phosphate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 4-[2-[4-cyclohexylimino-2-oxo-8-[(3-propan-2-yloxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-1-yl]-4-fluorophenyl]-N,N-dimethylbenzenesulfonamide
  参考文献：
  名称：

  WO2006/44497

  摘要：

  公开号：

文献信息

• Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease
  申请人：Barrow C. James

  公开号：US20070197571A1

  公开（公告）日：2007-08-23

  The present invention is directed to spiropiperidine compounds of formula (I) which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及公式（I）的螺环哌啶化合物，它们是β-分泌酶酶的抑制剂，并且在治疗β-分泌酶酶参与的疾病，如阿尔茨海默病中有用。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在治疗β-分泌酶酶参与的疾病中的使用。
• Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease
  申请人：Egbertson Melissa S.

  公开号：US20100298342A1

  公开（公告）日：2010-11-25

  The present invention is directed to spiropiperidine compounds of formula (I) and tautomers thereof, which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及式(I)的螺环吡啶化合物及其互变异构体，它们是β-分泌酶酶的抑制剂，并且在治疗β-分泌酶酶参与的疾病，如阿尔茨海默病中有用。本发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在治疗β-分泌酶酶参与的这些疾病中的使用。
• WO2008/30412
  申请人：——

  公开号：——

  公开（公告）日：——
• SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER S DISEASE
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP1804794B1

  公开（公告）日：2013-07-31
• US8114887B2
  申请人：——

  公开号：US8114887B2

  公开（公告）日：2012-02-14