N-环己基-4-羟基-2-氧代-1H-喹啉-3-甲酰胺 | 128366-07-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: N-环己基-4-羟基-2-氧代-1H-喹啉-3-甲酰胺
• 英文名称: 4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid cyclohexylamide
• 英文别名: N-cyclohexyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide；N-Cyclohexyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide；N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
• CAS: 128366-07-4
• 化学式: C₁₆H₁₈N₂O₃
• 分子量: 286.331
• InChiKey: MZELJDKERIRFIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-环己基-4-羟基-2-氧代-1H-喹啉-3-甲酰胺 在 三乙胺 、 三氯氧磷 作用下， 反应 7.0h， 以92%的产率得到2,4-二氯喹啉-3-甲腈
  参考文献：
  名称：

  MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH

  摘要：

  本发明提供了用于识别化学感受受体及其配体的修饰因子的筛选方法，例如，通过确定测试实体是否适合与化学感受受体的捕蝇草结构域内的一个或多个相互作用位点发生相互作用，以及能够调节化学感受受体及其配体的修饰因子。

  公开号：

  US20080306053A1
• 作为产物：
  描述：

  2,4-二羟基喹啉-3-甲酸乙酯 、 环己胺 在 crude product 、 乙醚 作用下， 以 甲苯 、 水 为溶剂， 反应 4.0h， 以to yield 10.1 g (87%) of white solids的产率得到N-环己基-4-羟基-2-氧代-1H-喹啉-3-甲酰胺
  参考文献：
  名称：

  INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME

  摘要：

  提供了MIF抑制剂，其在治疗多种疾病中具有实用价值，包括与MIF活性相关的病理状态的治疗。MIF抑制剂具有以下结构：包括立体异构体、前药和其药学上可接受的盐，其中n、R1、R2、R3、R4、X和Z的定义如本文所述。还提供了含有MIF抑制剂和药学上可接受的载体的组合物，以及使用它们的方法。

  公开号：

  US20070179132A1

文献信息

• INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE
  申请人：Hurley Timothy Brian

  公开号：US20090325948A1

  公开（公告）日：2009-12-31

  The present invention relates to compounds that are selective and/or potent inhibitors of UPPS. In addition to compounds which inhibit UPPS, the invention also provides pharmaceutical compositions comprising these compounds and methods of using these compounds for treating bacterial disease, such as bacterial infection.

  本发明涉及选择性和/或有效抑制UPPS的化合物。除了抑制UPPS的化合物外，本发明还提供包含这些化合物的药物组合物以及使用这些化合物治疗细菌性疾病，如细菌感染的方法。
• Inhibitors of macrophage migration inhibitory factor and methods for identifying the same
  申请人：——

  公开号：US20040204586A1

  公开（公告）日：2004-10-14

  Inhibitors of MIF are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with MIF activity. The inhibitors of MIF have the following structures: 1 including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein n, R 1 , R 2 , R 3 , R 4 , X, and Z are as defined herein. Compositions containing an inhibitor of MIF in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  提供了MIF的抑制剂，可用于治疗多种疾病，包括与MIF活性相关的病理条件的治疗。MIF的抑制剂具有以下结构：包括立体异构体，前药和其药学上可接受的盐，其中n，R1，R2，R3，R4，X和Z的定义如本文所述。还提供了含有MIF抑制剂与药学上可接受的载体组合的组合物，以及使用它们的方法。
• INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME
  申请人：Sircar Jagadish

  公开号：US20070238736A9

  公开（公告）日：2007-10-11

  Inhibitors of MIF are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with MIF activity. The inhibitors of MIF have the following structures: including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein n, R 1 , R 2 , R 3 , R 4 , X, and Z are as defined herein. Compositions containing an inhibitor of MIF in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  提供了抑制MIF的抑制剂，其在治疗多种疾病方面具有用途，包括治疗与MIF活性相关的病理条件。 MIF的抑制剂具有以下结构：包括立体异构体，前药和其药学上可接受的盐，其中n，R1，R2，R3，R4，X和Z的定义如本文所述。还提供了含有MIF抑制剂和药学上可接受的载体组合的组合物，以及使用它们的方法。
• Compounds including substituted thienopyrimidinone derivatives as ligands for modulating chemosensory receptors
  申请人：Senomyx, Inc.

  公开号：US07928111B2

  公开（公告）日：2011-04-19

  The present invention provides compounds including substituted thienopyrimidinone derivatives of Formula (IIc) as ligands for modulating chemosensory receptors: These compounds are useful as sweet taste enhancers in comestible or medicinal compositions. The present invention also provides screening methods for identifying modifiers of chemosensory receptors and their ligands, e.g., by determining whether a test entity is suitable to interact with one or more interacting sites within the Venus flytrap domains of the chemosensory receptors as well as modifiers capable of modulating chemosensory receptors and their ligands.

  本发明提供了化合物，包括式（IIc）的取代噻唑嘧啶酮衍生物，作为调节化学感受器的配体：这些化合物在食品或药物组合物中作为甜味增强剂是有用的。本发明还提供了筛选方法，用于识别化学感受器及其配体的修饰剂，例如，通过确定测试实体是否适合与化学感受器的捕蝇草结构域中的一个或多个相互作用位点相互作用，以及能够调节化学感受器及其配体的修饰剂。
• Modulation of chemosensory receptors and ligands associated therewith
  申请人：Tachdjian Catherine

  公开号：US08633186B2

  公开（公告）日：2014-01-21

  The present invention includes methods for identifying modifiers of chemosensory receptors and their ligands, e.g., by determining whether a test entity is suitable to interact with one or more interacting sites within the Venus flytrap domains of the chemosensory receptors, and modifiers capable of modulating chemosensory receptors and their ligands. The present invention also includes modifiers of chemosensory receptors and their ligands having Formula (I), its subgenus, and specific compounds. Furthermore, the present invention includes ingestible compositions comprising the modifiers of chemosensory receptors and their ligands and methods of using the modifiers of chemosensory receptors and their ligands to enhance the sweet taste of an ingestible composition or treat a condition associated with a chemosensory receptor. In addition, the present invention include processes for preparing the modifiers of chemosensory receptors and their ligands.

  本发明涉及识别化学感受器及其配体的修饰剂的方法，例如，通过确定测试实体是否适合与化学感受器的食虫植物结构域内的一个或多个相互作用位点相互作用来确定。本发明还包括能够调节化学感受器及其配体的修饰剂。本发明还包括具有公式（I）、其亚属和特定化合物的化学感受器及其配体的修饰剂。此外，本发明包括包含化学感受器及其配体的修饰剂的可食用组合物，并使用化学感受器及其配体的修饰剂来增强可食用组合物的甜味或治疗与化学感受器相关的疾病的方法。此外，本发明还包括制备化学感受器及其配体的修饰剂的方法。