3-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenylboronic acid | 885115-48-0

• 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: 3-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenylboronic acid
• 英文别名: 3-{[4-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenylboronic acid；[3-[[4-cyclohexylimino-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]phenyl]boronic acid
• CAS: 885115-48-0
• 化学式: C₂₆H₃₂BFN₄O₃
• 分子量: 478.374
• InChiKey: HMGYUQMBMLLQCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  88.4
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenylboronic acid 、 4-甲基-3-溴吡啶 在 palladium diacetate sodium carbonate 、 tri(4,6-dimethyl-3-sulfonatophenyl)-phosphine 作用下， 以 水 、 乙腈 为溶剂， 反应 0.33h， 生成 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(4-methylpyridin-3-yl)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one
  参考文献：
  名称：

  WO2006/44497

  摘要：

  公开号：
• 作为产物：
  描述：

  4-(cyclohexylammonio)-1-(3-fluorophenyl)-2-oxo-1,3-diaza-8-azoniaspiro[4.5]dec-3-ene dichloride 、 3-甲酰基苯硼酸 在 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 3-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenylboronic acid
  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 compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease
  申请人：Merck, Sharp & Dohme Corp.

  公开号：US08114887B2

  公开（公告）日：2012-02-14

  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.

  本发明涉及式(I)的螺环吡啶化合物，它们是β-分泌酶酶的抑制剂，并且在治疗β-分泌酶酶涉及的疾病，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-分泌酶酶涉及的疾病中的应用。
• WO2006/44497
  申请人：——

  公开号：——

  公开（公告）日：——