dimethyl 5-(2-cyanophenyl)isophthalate | 168619-11-2

• 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: dimethyl 5-(2-cyanophenyl)isophthalate
• 英文别名: dimethyl 5-(cyanophenyl)isophthalate；3,5-Dimethyl 2'-cyano[1,1'-biphenyl]-3,5-dicarboxylate；dimethyl 5-(2-cyanophenyl)benzene-1,3-dicarboxylate
• CAS: 168619-11-2
• 化学式: C₁₇H₁₃NO₄
• 分子量: 295.295
• InChiKey: ZSUQEVKDELFSJV-UHFFFAOYSA-N

物化性质

• 沸点：
  487.7±45.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  dimethyl 5-(2-cyanophenyl)isophthalate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 2'-cyano-5-(methoxycarbonyl)-1,1'-biphenyl-3-carboxylic acid
  参考文献：
  名称：

  大环叔卡宾胺BACE-1抑制剂的设计，合成和SAR。

  摘要：

  这封信描述了β-分泌酶（BACE-1）酶的叔卡宾胺大环抑制剂的设计和合成。这些大环抑制剂，其中一些结合了新的P2取代基，相对于先前描述的无环类似物，其效能提高了2到100倍，同时提供了更高的稳定性。

  DOI：

  10.1016/j.bmcl.2007.04.072
• 作为产物：
  描述：

  5-碘间苯二甲酸二甲酯 、 2-cyano-phenyl zinc bromide 在 四(三苯基膦)钯 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以65%的产率得到dimethyl 5-(2-cyanophenyl)isophthalate
  参考文献：
  名称：

  [EN] OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF
  [FR] COMPOSÉS OXADIAZOLE QUI INHIBENT L'ACTIVITÉ DE LA BÊTA-SECRÉTASE, ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  这项发明提供了新型β-分泌酶抑制剂以及它们的方法，包括治疗阿尔茨海默病的方法。

  公开号：

  WO2012054510A1
• 作为试剂：
  描述：

  5-碘间苯二甲酸二甲酯 、 2-Cyanophenylzinc bromide 、 、 2'-cyano-5-(methoxycarbonyl)-1,1'-biphenyl-3-carboxylic acid 、 甲基丁胺 、 N-羟基-7-氮杂苯并三氮唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 盐酸 在 四(三苯基膦)钯 甲醇 、 dimethyl 5-(2-cyanophenyl)isophthalate 、 intermediate B 、 二氯甲烷 、 Brine 、 Sodium sulfate-III 、 ethyl acetate hexanes 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 18.0h， 以gave methyl 5-{[butyl(methyl)amino]carbonyl}-2′-cyano-1,1′-biphenyl-3-carboxylate as an oil的产率得到methyl 5-([butyl(methyl)amino]carbonyl)-2'-cyano-1,1'-biphenyl-3-carboxylate
  参考文献：
  名称：

  Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease

  摘要：

  本发明涉及苯基酰胺和吡啶基酰胺衍生物化合物，其是β-分泌酶酶的抑制剂，可用于治疗β-分泌酶酶涉及的疾病，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-分泌酶酶涉及的疾病中的使用。

  公开号：

  US07550481B2

文献信息

• [EN] 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] DERIVES DE PHENYLE 1,3,5-SUBSTITUES UTILES COMME INHIBITEURS DE LA BETA-SECRETASE POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：MERCK & CO INC

  公开号：WO2005103020A1

  公开（公告）日：2005-11-03

  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。
• Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease
  申请人：Barrow C. James

  公开号：US20070142634A1

  公开（公告）日：2007-06-21

  The present invention is directed to phenylamide and pyridylamide derivative compounds of 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.

  本发明涉及苯胺和吡啶胺衍生物化合物，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：US20060293380A1

  公开（公告）日：2006-12-28

  The present invention is directed to 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)的化合物，它们是beta-分泌酶酶的抑制剂，可用于治疗beta-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beta-分泌酶酶参与的疾病中的应用。
• BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：Nantermet Philippe G.

  公开号：US20100210693A1

  公开（公告）日：2010-08-19

  The present invention is directed to 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.

  本发明涉及一类抑制β-分泌酶酶的化合物，这些化合物在治疗β-分泌酶酶参与的疾病，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药物组合物，以及在治疗β-分泌酶酶参与的这些疾病中使用这些化合物和组合物的用途。