{2-allyl-6-[methyl(methylsulfonyl)amino]pyridine-4-yl}methyl 3-allyl-N-(tert-butoxycarbonyl)-α-methylphenylalaninate | 888703-18-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: {2-allyl-6-[methyl(methylsulfonyl)amino]pyridine-4-yl}methyl 3-allyl-N-(tert-butoxycarbonyl)-α-methylphenylalaninate
• 英文别名: [2-[Methyl(methylsulfonyl)amino]-6-prop-2-enylpyridin-4-yl]methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-prop-2-enylphenyl)propanoate
• CAS: 888703-18-2
• 化学式: C₂₉H₃₉N₃O₆S
• 分子量: 557.711
• InChiKey: OLQHTYPVQWUHLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  39
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  123
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  {2-allyl-6-[methyl(methylsulfonyl)amino]pyridine-4-yl}methyl 3-allyl-N-(tert-butoxycarbonyl)-α-methylphenylalaninate 在 Zhan (metathesis) Catalyst I 作用下， 以 1,1-二氯乙烷 为溶剂， 反应 0.5h， 生成 tert-butyl [(3E)-14-methyl-8-[methyl(methylsulfonyl)amino]-13-oxo-12-oxa-7-azatricyclo[14.3.1.1 6,10]henicosa-1(20),3,6(21),7,9,16,18-heptaen-14-yl]carbamate
  参考文献：
  名称：

  WO2006/57983

  摘要：

  公开号：
• 作为产物：
  描述：

  {2-chloro-6-[methyl(methylsulfonyl)amino]pyridine-4-yl}methyl 3-bromo-N-(tert-butoxycarbonyl)-α-methylphenylalaninate 、 烯丙基三丁基锡 在 bis-triphenylphosphine-palladium(II) chloride potassium fluoride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 {2-allyl-6-[methyl(methylsulfonyl)amino]pyridine-4-yl}methyl 3-allyl-N-(tert-butoxycarbonyl)-α-methylphenylalaninate
  参考文献：
  名称：

  WO2006/57983

  摘要：

  公开号：

文献信息

• Macrocyclic Aminopyridyl Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease
  申请人：Nantermet G. Philippe

  公开号：US20080015213A1

  公开（公告）日：2008-01-17

  The present invention is directed to macrocyclic aminopyridyl compounds represented by general 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.

  本发明涉及由一般式(I)表示的大环氨基吡啶化合物，它们是β-秘酶酶的抑制剂，并且在治疗β-秘酶酶参与的疾病，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在治疗β-秘酶酶参与的这些疾病中使用这些化合物和组合物的用途。
• MACROCYCLIC AMINOPYRIDYL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP1817312B1

  公开（公告）日：2011-06-08
• US7951949B2
  申请人：——

  公开号：US7951949B2

  公开（公告）日：2011-05-31
• [EN] MACROCYCLIC AMINOPYRIDYL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] INHIBITEURS DE L'AMINOPYRIDYLE DE LA BETA-SECRETASE MACROCYCLIQUE PERMETTANT DE TRAITER LA MALADIE D'ALZHEIMER
  申请人：MERCK & CO INC

  公开号：WO2006057983A1

  公开（公告）日：2006-06-01

  [EN] The present invention is directed to macrocyclic aminopyridyl compounds represented by general 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.
  [FR] L'invention concerne des composés d'aminopyridyle macrocyclique représentés par la formule (I) qui sont des inhibiteurs de l'enzyme bêta-secrétase et qui sont utilisés pour traiter des maladies impliquant l'enzyme bêta-secrétase, telles que la maladie d'Alzheimer. L'invention concerne également des compositions pharmaceutiques comprenant lesdits composés, et l'utilisation de ces composés et de ces compositions pour traiter des maladies impliquant l'enzyme bêta-secrétase.
• WO2006/57983
  申请人：——

  公开号：——

  公开（公告）日：——