6-甲基喹啉-3-羧酸 | 254883-95-9

• 物质功能分类: 医药中间体 - 喹啉类化合物
• 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: 6-甲基喹啉-3-羧酸
• 中文别名: 6-甲基-3-羧酸
• 英文名称: 6-methylquinoline-3-carboxylic acid
• CAS: 254883-95-9
• 化学式: C₁₁H₉NO₂
• mdl: MFCD09787840
• 分子量: 187.198
• InChiKey: XILGKXKKWQIQNQ-UHFFFAOYSA-N

物化性质

• 沸点：
  361.8±27.0 °C(Predicted)
• 密度：
  1.285±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  6-甲基喹啉-3-羧酸 在 N-溴代丁二酰亚胺(NBS) 、 potassium carbonate 、 过氧化苯甲酰 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 6-(bromomethyl)quinoline-3-carboxylate
  参考文献：
  名称：

  [EN] STAT MODULATORS AND USES THEREOF
  [FR] MODULATEURS DE STAT ET LEURS UTILISATIONS

  摘要：

  Provided are compounds of Formula (I): and pharmaceutically acceptable salts and compositions thereof, which are useful for treating a variety of conditions associated with STAT3 and/or STAT6.

  公开号：

  WO2023133336A1

文献信息

• [EN] UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF<br/>[FR] DÉRIVÉS D'ISOXAZOLE CONTENANT DE L'URÉE UTILISÉS COMME AGONISTES DE FXR ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ENANTA PHARM INC

  公开号：WO2018081285A1

  公开（公告）日：2018-05-03

  The present invention provides compounds of Formula (I), Pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising these compounds and methods of using these compounds to prevent or treat FXR- mediated or TGR5-mediated diseases or conditions.

  本发明提供了式(I)的化合物，其药学上可接受的盐，包含这些化合物的药物组合物以及使用这些化合物预防或治疗FXR介导或TGR5介导的疾病或症状的方法。
• COMPOSITION FOR ANISOTROPIC DYE FILM, ANISOTROPIC DYE FILM, AND POLARIZING DEVICE
  申请人：Mitsubishi Chemical Corporation

  公开号：EP1881349A1

  公开（公告）日：2008-01-23

  The present invention provides an anisotropic dye film having a high dichroic ratio. For this reason, the present invention uses a composition for an anisotropic dye film containing an electron-deficient discotic compound and an electron-rich compound.

  本发明提供了一种各向异性染料膜，具有很高的二色性比。 为此，本发明使用了一种用于各向异性染料膜的组合物，该组合物包含一种缺电子的盘状化合物和一种富电子的化合物。
• Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US10597391B2

  公开（公告）日：2020-03-24

  The present invention provides compounds of Formula I, Pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising these compounds and methods of using these compounds to prevent or treat FXR-mediated or TGR5-mediated diseases or conditions.

  本发明提供了式 I 的化合物、 其药学上可接受的盐、包含这些化合物的药物组合物以及使用这些化合物预防或治疗 FXR 介导或 TGR5 介导的疾病或病症的方法。
• High Affinity Dopamine D₃ Receptor (D₃R)-Selective Antagonists Attenuate Heroin Self-Administration in Wild-Type but not D₃R Knockout Mice
  作者：Comfort A. Boateng、Oluyomi M. Bakare、Jia Zhan、Ashwini K. Banala、Caitlin Burzynski、Elie Pommier、Thomas M. Keck、Prashant Donthamsetti、Jonathan A. Javitch、Rana Rais、Barbara S. Slusher、Zheng-Xiong Xi、Amy Hauck Newman

  DOI：10.1021/acs.jmedchem.5b00776

  日期：2015.8.13

  The dopamine D-3 receptor (D3R) is a promising target for the development of pharmacotherapeutics to treat substance use disorders. Several D3R-selective antagonists are effective in animal models of drug abuse, especially in models of relapse. Nevertheless, poor bioavailability, metabolic instability, and/or predicted toxicity have impeded success in translating these drug candidates to clinical use. Herein, we report a series of D3R-selective 4-phenylpiperazines with improved metabolic stability. A subset of these compounds was evaluated for D3R functional efficacy and off-target binding at selected 5-HT receptor subtypes, where significant overlap in SAR with D3R has been observed. Several high affinity D3R antagonists, including compounds 16 (K-i = 0.12 nM) and 32 (K-i = 0.35 nM), showed improved metabolic stability compared to the parent compound, PG648 (6). Notably, 16 and the classic D3R antagonist SB277011A (2) were effective in reducing selfadministration of heroin in wild-type but not D3R knockout mice.
• UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US20180141941A1

  公开（公告）日：2018-05-24

  The present invention provides compounds of Formula I, Pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising these compounds and methods of using these compounds to prevent or treat FXR-mediated or TGR5-mediated diseases or conditions.