3-(ethoxycarbonyl)-5-(1-cyanocyclopentyl)benzoic acid | 853304-00-4

• 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: 3-(ethoxycarbonyl)-5-(1-cyanocyclopentyl)benzoic acid
• 英文别名: 3-(1-cyanocyclopentyl)-5-ethoxycarbonylbenzoic acid
• CAS: 853304-00-4
• 化学式: C₁₆H₁₇NO₄
• 分子量: 287.315
• InChiKey: SFRSXDPNQVWFJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  87.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(ethoxycarbonyl)-5-(1-cyanocyclopentyl)benzoic acid 在 lithium hydroxide 、 伯吉斯试剂 、 水 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 1,1-二氯乙烷 、 二氯甲烷 为溶剂， 反应 1.13h， 生成 3-(5-((1R)-2-tert-butoxycarbonylamino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl)-5-(1-cyanocyclopentyl)benzoic acid
  参考文献：
  名称：

  [EN] 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  [FR] DERIVES DE PHENYLE 1,3,5-SUBSTITUES UTILES COMME INHIBITEURS DE LA BETA-SECRETASE POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER

  摘要：

  本发明涉及1,3,5-苯基取代衍生物化合物，这些化合物是β-分泌酶的抑制剂，可用于治疗β-分泌酶参与的疾病，例如阿尔茨海默病。该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-分泌酶参与疾病中的用途。

  公开号：

  WO2005103020A1
• 作为产物：
  描述：

  diethyl 5-bromomethylisophthalate 在 sodium hydroxide 、 乙醇 、 四丁基氟化铵 、 水 、 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 1.33h， 生成 3-(ethoxycarbonyl)-5-(1-cyanocyclopentyl)benzoic acid
  参考文献：
  名称：

  [EN] 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  [FR] DERIVES DE PHENYLE 1,3,5-SUBSTITUES UTILES COMME INHIBITEURS DE LA BETA-SECRETASE POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER

  摘要：

  本发明涉及1,3,5-苯基取代衍生物化合物，这些化合物是β-分泌酶的抑制剂，可用于治疗β-分泌酶参与的疾病，例如阿尔茨海默病。该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-分泌酶参与疾病中的用途。

  公开号：

  WO2005103020A1

文献信息

• [EN] BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] INHIBITEURS DE BENZYLETHER ET BENZYLAMINO DE BETA-SECRETASE POUR TRAITER LA MALADIE D'ALZHEIMER
  申请人：MERCK & CO INC

  公开号：WO2005051914A1

  公开（公告）日：2005-06-09

  The present invention is directed to benzylether and benzylamino derivative compounds 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.

  本发明涉及苯乙醚和苄胺衍生物化合物，这些化合物是β-分泌酶的抑制剂，并且在治疗涉及β-分泌酶的疾病，如阿尔茨海默病中有用。该发明还涉及包含这些化合物的药物组合物，以及在治疗涉及β-分泌酶的这类疾病中使用这些化合物和组合物。
• 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease
  申请人：Barrow C. James

  公开号：US20070244119A1

  公开（公告）日：2007-10-18

  The present invention is directed to 1,3,5-phenyl substituted derivative compounds 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.

  本发明涉及一类1,3,5-苯基取代衍生物化合物，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，以及这些化合物和组合物在治疗β-分泌酶酶参与的疾病中的用途。
• Benzylether and benzylamino beta-secretase inhibitors for the treatment of alzheimer's disease
  申请人：Nantermet G. Philippe

  公开号：US20070088165A1

  公开（公告）日：2007-04-19

  The present invention is directed to benzylether and benzylamino derivative 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)的苯甲醚和苯甲氨基衍生物化合物，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，例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-分泌酶酶涉及的疾病中使用这些化合物和组合物的用途。
• Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease
  申请人：Nantermet Philippe G.

  公开号：US20080269302A1

  公开（公告）日：2008-10-30

  The present invention is directed to macrocyclic tertiary amine 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.

  本发明涉及由通式(I)表示的大环三级胺化合物，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，如阿尔茨海默病方面具有用途。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-分泌酶酶参与的这些疾病方面使用这些化合物和组合物。
• Benzylether and benzylamino beta-secretase inhibitors for the treatment of Alzheimer's disease
  申请人：Merck & Co., Inc.

  公开号：US07354942B2

  公开（公告）日：2008-04-08

  The present invention is directed to benzylether and benzylamino derivative 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）的苄醚和苄氨基衍生物化合物，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使用这些化合物和组合物治疗β-分泌酶酶参与的疾病的方法。