6-甲氧基-2-萘庚酮 | 53526-25-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 6-甲氧基-2-萘庚酮
• 中文别名: 7-氨基-4-三氟甲基香豆素
• 英文名称: hexyl 6-methoxy-2-naphthyl ketone
• 英文别名: 2-Heptanoyl-6-methoxy-naphthalin；1-(6-methoxy-[2]naphthyl)-heptan-1-one；1-(6-Methoxy-[2]naphthyl)-heptan-1-on；1-(6-methoxy-naphthalen-2-yl)heptan-1-one；(6-Methoxy-2-naphthyl)heptan-1-one；1-(6-Methoxynaphthalen-2-yl)heptan-1-one
• CAS: 53526-25-3
• 化学式: C₁₈H₂₂O₂
• mdl: MFCD07368646
• 分子量: 270.371
• InChiKey: AHVTYNUOGDMEKA-UHFFFAOYSA-N

物化性质

• 熔点：
  68-69 °C(Solv: ligroine (8032-32-4))
• 沸点：
  408.9±18.0 °C(Predicted)
• 密度：
  1.033±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.388
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2914509090

反应信息

• 作为反应物：
  描述：

  6-甲氧基-2-萘庚酮 在 吡啶盐酸盐 作用下， 生成 2-Heptanoyl-6-hydroxy-naphthalin
  参考文献：
  名称：

  喹唑啉。12.在中心环上含有长链烷基或氯取代基的1，3-二氨基苯并（f）喹唑啉。合成和生物学评估作为候选抗叶酸剂和抗疟药。

  摘要：

  DOI：

  10.1021/jm00257a016
• 作为产物：
  描述：

  7-甲氧基-1-萘基苯基酮 在 indium(III) chloride 作用下， 以 硝基苯 为溶剂， 反应 6.0h， 生成 6-甲氧基-2-萘庚酮
  参考文献：
  名称：

  Pivsa-Art, Sommai; Okuro, Kazumi; Miura, Masahiro, Journal of the Chemical Society. Perkin transactions I, 1994, # 13, p. 1703 - 1708

  摘要：

  DOI：

文献信息

• Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1)
  申请人：——

  公开号：US20030032626A1

  公开（公告）日：2003-02-13

  This invention provides PAI-1 inhibiting compounds of Formula I: 1 wherein: R 1 , R 2 , R 3 , and R 4 are eachH, alkyl,, alkanoyl, halo, OH, aryl optionally substituted with R 8 , perfluoroalkyl, alkoxy, amino, alkylamino, dialkylamino, perfluoroalkoxy; R 5 is H, alkyl, perfluoroalkyl, aryl optionally substituted with R 8 , alkanoyl, aroyl optionally substituted with R 8 ; R 6 is H, alkyl, alkylaryl, benzyl optionally substituted with R 8 , alkanoyl, aroyl optionally substituted with R 8 ; R 7 is H, alkyl, alkylaryl, aryl optionally substituted with R 8 ; n is 0-6; A is COOH, or an acid mimic such as tetraazole, SO 3 H, PO 3 H 2 , tetronic acid, etc.; R 8 is H, alkyl, cycloalkyl, alkanoyl, halo, OH, perfluoroalkyl, alkoxy, amino, alkylamino, dialkylamino, perfluoroalkoxy; or a pharmaceutically acceptable salt thereof; as well as pharmaceutical compositions and methods of treatment using these compounds.

  该发明提供了PAI-1抑制化合物的公式I：1，其中：R1、R2、R3和R4分别是H、烷基、酰基、卤素、OH、芳基（可选择性地取代R8）、全氟烷基、烷氧基、氨基、烷基氨基、二烷基氨基、全氟烷氧基；R5是H、烷基、全氟烷基、芳基（可选择性地取代R8）、酰基、芳酰基（可选择性地取代R8）；R6是H、烷基、烷基芳基、苄基（可选择性地取代R8）、酰基、芳酰基（可选择性地取代R8）；R7是H、烷基、烷基芳基、芳基（可选择性地取代R8）；n为0-6；A为COOH，或酸类模拟物，如四唑、SO3H、PO3H2、四酮酸等；R8为H、烷基、环烷基、酰基、卤素、OH、全氟烷基、烷氧基、氨基、烷基氨基、二烷基氨基、全氟烷氧基；或其药学上可接受的盐；以及使用这些化合物的制药组合物和治疗方法。
• [EN] SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1)<br/>[FR] DERIVES DE NAPHTHYL INDOLE SUBSTITUES UTILISES COMME INHIBITEURS DE L'INHIBITEUR DES ACTIVATEURS DU PLASMINOGENE DE TYPE-1 (PAI-1)
  申请人：WYETH CORP

  公开号：WO2003000684A1

  公开（公告）日：2003-01-03

  This invention provides PAI-1 inhibiting compounds of Formula (I): wherein: R1, R2, R3 and R4 are eachH, alkyl, alkanoyl, halo, OH, aryl optionally substituted with R8, perfluoroalkyl, alkoxy, amino, alkylamino, dialkylamino, perfluoroalkoxy; R5 is H, alkyl perfluoroalkyl, aryl optionally substituted with R8, alkanoyl, aroyl optionally substituted with R8, R6 is H, alkyl, alkylaryl, benzyl optionally substituted with R8, alkanoyl, aroyl optionally substituted with R8, R7 is H, alkyl, alkylaryl, aryl optionally substituted with R8, n is 0-6; A is COOH, or an acid mimic such as tetraazole, SO3H, PO3H2, tetronic acid, etc.; R8 is H, alkyl, cycloalkyl, alkanoyl, halo, OH, perfluoroalkyl, alkoxy, amino, alkylamino, dialkylamino, perfluoroalkoxy; or a pharmaceutically acceptable salt thereof; as well as pharmaceutical compositions and methods of treatment using these compounds.

  此发明提供了PAI-1抑制剂化合物的公式（I）：其中：R1、R2、R3和R4分别为H、烷基、烷酰基、卤、OH、取代有R8的芳基、全氟烷基、烷氧基、氨基、烷基氨基、二烷基氨基、全氟烷氧基；R5为H、烷基、全氟烷基、取代有R8的芳基、烷酰基、取代有R8的芳酰基；R6为H、烷基、烷基芳基、取代有R8的苄基、烷酰基、取代有R8的芳酰基；R7为H、烷基、烷基芳基、取代有R8的芳基、n为0-6；A为COOH或如四唑、SO3H、PO3H2、四酮酸等酸类类似物；R8为H、烷基、环烷基、烷酰基、卤、OH、全氟烷基、烷氧基、氨基、烷基氨基、二烷基氨基、全氟烷氧基；或其药学上可接受的盐；以及使用这些化合物的药物组合物和治疗方法。
• Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor Type-1 (PAI-1)
  申请人：Wyeth

  公开号：US20040266733A1

  公开（公告）日：2004-12-30

  This invention provides PAI-1 inhibiting compounds of Formula I: 1 wherein: R 1 , R 2 , R 3 , and R 4 are each H, alkyl, , alkanoyl, halo, OH, aryl optionally substituted with R 8 , perfluoroalkyl, alkoxy, amino, alkylamino, dialkylamino, perfluoroalkoxy; R 5 is H, alkyl, perfluoroalkyl, aryl optionally substituted with R 8 , alkanoyl, aroyl optionally substituted with R 8 ; R 6 is H, alkyl, alkylaryl, benzyl optionally substituted with R 8 , alkanoyl, aroyl optionally substituted with R 8 ; R 7 is H, alkyl, alkylaryl, aryl optionally substituted with R 8 ; n is 0-6; A is COOH, or an acid mimic such as tetraazole, SO 3 H, PO 3 H 2 , tetronic acid, etc.; R 8 is H, alkyl, cycloalkyl, alkanoyl, halo, OH, perfluoroalkyl, alkoxy, amino, alkylamino, dialkylamino, perfluoroalkoxy; or a pharmaceutically acceptable salt thereof; as well as pharmaceutical compositions and methods of treatment using these compounds.

  该发明提供了式I的PAI-1抑制化合物：1其中：R1、R2、R3和R4分别为H、烷基、脂肪酰基、卤、OH、取代有R8的芳基、全氟烷基、烷氧基、氨基、烷基氨基、二烷基氨基、全氟烷氧基；R5为H、烷基、全氟烷基、取代有R8的芳基、脂肪酰基、取代有R8的芳酰基；R6为H、烷基、烷基芳基、取代有R8的苄基、脂肪酰基、取代有R8的芳酰基；R7为H、烷基、烷基芳基、取代有R8的芳基；n为0-6；A为COOH或酸类模拟物，如四唑、SO3H、PO3H2、四酮酸等；R8为H、烷基、环烷基、脂肪酰基、卤、OH、全氟烷基、烷氧基、氨基、烷基氨基、二烷基氨基、全氟烷氧基；或其药学上可接受的盐；以及使用这些化合物的药物组合物和治疗方法。
• Processes and compounds for the preparation of substituted naphthylindole derivatives
  申请人：Dragan A. Vladimir

  公开号：US20060183917A1

  公开（公告）日：2006-08-17

  The present invention provides processes for the preparation of substituted naphthylindole derivatives that can be used as inhibitors of plasminogen activator inhibitor-1(PAI-1). In certain embodiments of the invention, the processes involve reactions that include one or more of an Oppenauer oxidation, a Fischer indole synthesis, a methyl ether cleavage, or coupling a substituted methyltetrazole with a substituted naphthol.

  本发明提供了制备取代萘基吲哚衍生物的方法，可用作纤维蛋白溶酶原激活物抑制剂-1（PAI-1）的抑制剂。在本发明的某些实施例中，该方法涉及反应，包括Oppenauer氧化反应，Fischer吲哚合成反应，甲醚裂解反应或将取代甲基四唑与取代萘酚偶联反应的一种或多种。
• SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1)
  申请人：Crandall David LeRoy

  公开号：US20080182883A1

  公开（公告）日：2008-07-31

  This invention provides PAI-1 inhibiting compounds of Formula I: wherein: R 1 , R 2 , R 3 , and R 4 are each H, alkyl, , alkanoyl, halo, OH, aryl optionally substituted with R 8 , perfluoroalkyl, alkoxy, amino, alkylamino, dialkylamino, pertluoroalkoxy; R 5 is H, alkyl, perfluoroalkyl, aryl optionally substituted with R 5 , alkanoyl, aroyl optionally substituted with R 8 ; R 6 is H, alkyl, alkylaryl, benzyl optionally substituted with R 8 , alkanoyl, aroyl optionally substituted with R 8 ; R 7 is H, alkyl, alkylaryl, aryl optionally substituted with R 8 ; n is 0 - 6 ; A is COOH, or an acid mimic such as tetraazole, SO 3 H, PO 3 H 2 , tetronic acid, etc.; R 8 is H, alkyl, cycloalkyl, alkanoyl, halo, OH, perfluoroalkyl, alkoxy, amino, alkylamino, dialkylamino, perfluoroalkoxy; or a pharmaceutically acceptable salt thereof; as well as pharmaceutical compositions and methods of treatment using these compounds.

  本发明提供了PAI-1抑制化合物的化学式I：其中：R1、R2、R3和R4分别为H、烷基、脂肪酰基、卤素、OH、芳基（可选地取代R8）、全氟烷基、烷氧基、氨基、烷基氨基、二烷基氨基、全氟烷氧基；R5为H、烷基、全氟烷基、芳基（可选地取代R5）、脂肪酰基、芳酰基（可选地取代R8）；R6为H、烷基、烷基芳基、苄基（可选地取代R8）、脂肪酰基、芳酰基（可选地取代R8）；R7为H、烷基、烷基芳基、芳基（可选地取代R8）；n为0-6；A为COOH，或酸类模拟物如四唑、SO3H、PO3H2、特罗酮酸等；R8为H、烷基、环烷基、脂肪酰基、卤素、OH、全氟烷基、烷氧基、氨基、烷基氨基、二烷基氨基、全氟烷氧基；或其药学上可接受的盐；以及使用这些化合物的药物组合物和治疗方法。