N-(4-{[(3-amino-3-benzyltetrahydrofuran-2-yl)oxy]methyl}-6-chloropyridin-2-yl)-N-propylmethanesulfonamide | 924899-17-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(4-{[(3-amino-3-benzyltetrahydrofuran-2-yl)oxy]methyl}-6-chloropyridin-2-yl)-N-propylmethanesulfonamide
• 英文别名: N-[4-[(3-amino-3-benzyloxolan-2-yl)oxymethyl]-6-chloropyridin-2-yl]-N-propylmethanesulfonamide
• CAS: 924899-17-2
• 化学式: C₂₁H₂₈ClN₃O₄S
• 分子量: 453.99
• InChiKey: JZLRIKOQASMDII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-(4-{[(3-amino-3-benzyltetrahydrofuran-2-yl)oxy]methyl}-6-chloropyridin-2-yl)-N-propylmethanesulfonamide 、 二碳酸二叔丁酯 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 tert-butyl[3-benzyl-2-({2-chloro-6-[(methylsulfonyl)(propyl)amino]pyridin-4-yl}methoxy)tetrahydrofuran-3-yl]carbamate
  参考文献：
  名称：

  WO2007/19111

  摘要：

  公开号：
• 作为产物：
  描述：

  N-[6-chloro-4-(hydroxymethyl)pyridin-2-yl]-N-propylmethanesulfonamide 、 tert-butyl (3-benzyl-2-hydroxytetrahydrofuran-3-yl)carbamate 在 对甲苯磺酸 methyl 3-(hydroxymethyl)-5-[(methylsulfonyl)(propyl)amino]benzoate 作用下， 以 甲苯 为溶剂， 反应 24.5h， 生成 N-(4-{[(3-amino-3-benzyltetrahydrofuran-2-yl)oxy]methyl}-6-chloropyridin-2-yl)-N-propylmethanesulfonamide
  参考文献：
  名称：

  WO2007/19111

  摘要：

  公开号：

文献信息

• Cyclic ketal beta-secretase inhibitors for the treatment of alzheimer's disease
  申请人：Merck Sharp & Dohme Corp.

  公开号：US07816378B2

  公开（公告）日：2010-10-19

  The present invention is directed to cyclic ketal 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）的环状酯化合物，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使用这些化合物和组合物治疗β-分泌酶酶参与的这些疾病的方法。
• Cyclic Ketal Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease
  申请人：Nantermet Philippe G.

  公开号：US20090176836A1

  公开（公告）日：2009-07-09

  The present invention is directed to cyclic ketal 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）的环状酯化合物，它们是β-分泌酶酶的抑制剂，可用于治疗β-分泌酶酶参与的疾病，如阿尔茨海默病。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-分泌酶酶参与的疾病中使用这些化合物和组合物的用途。
• CYCLIC KETAL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：Merck & Co., Inc.

  公开号：EP1912963A2

  公开（公告）日：2008-04-23
• US7816378B2
  申请人：——

  公开号：US7816378B2

  公开（公告）日：2010-10-19
• [EN] CYCLIC KETAL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] INHIBITEURS DE BETA-SECRETASE A CETAL CYCLIQUE DESTINES AU TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：MERCK & CO INC

  公开号：WO2007019111A2

  公开（公告）日：2007-02-15

  [EN] The present invention is directed to cyclic ketal 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.
  [FR] La présente invention concerne des composés de cétal cyclique de formule (I), lesquels composés sont des inhibiteurs de l'enzyme bêta-sécrétase et sont utiles dans le traitement de maladies dans lesquelles cette enzyme bêta-sécrétase est impliquée, telles que la maladie d'Alzheimer. Cette invention se rapporte également à des compositions pharmaceutiques comprenant ces composés ainsi qu'à l'utilisation desdits composés et desdites compositions dans le traitement de ces maladies dans lesquelles l'enzyme bêta-sécrétase est impliquée.