6-甲基-4-哌嗪-2-(三氟甲基)喹啉 | 544429-25-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 6-甲基-4-哌嗪-2-(三氟甲基)喹啉
• 英文名称: 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline
• 英文别名: 6-methyl-4-piperazino-2-(trifluoromethyl)quinoline；6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
• CAS: 544429-25-6
• 化学式: C₁₅H₁₆F₃N₃
• mdl: MFCD00728815
• 分子量: 295.307
• InChiKey: ZKHOZLXKYFBVMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  哌嗪 、 4-氯-6-甲基-2-(三氟甲基)喹啉 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以92%的产率得到6-甲基-4-哌嗪-2-(三氟甲基)喹啉
  参考文献：
  名称：

  Discovery of β2 Adrenergic Receptor Ligands Using Biosensor Fragment Screening of Tagged Wild-Type Receptor

  摘要：

  G-protein coupled receptors (GPCRs) are the primary target class of currently marketed drugs, accounting for about a quarter of all drug targets of approved medicines. However, almost all the screening efforts for novel ligand discovery rely exclusively on cellular systems overexpressing the receptors. An alternative ligand discovery strategy is a fragment-based drug discovery, where low molecular weight compounds, known as fragments, are screened as initial starting points for optimization. However, the screening of fragment libraries usually employs biophysical screening methods, and as such, it has not been routinely applied to membrane proteins. We present here a surface plasmon resonance biosensor approach that enables, cell-free, label-free, fragment screening that directly measures fragment interactions with wild-type GPCRs. We exemplify the method by the discovery of novel, selective, high affinity antagonists of human beta 2 adrenoceptor.

  DOI：

  10.1021/ml400312j

文献信息

• [EN] N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF<br/>[FR] DERIVES N-HYDROXYAMIDE ET LEUR APPLICATION
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2006010751A1

  公开（公告）日：2006-02-02

  The present invention is related to N-hydroxyamide derivatives of Formula (I) and use thereof, in particular for the treatment and/or prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, cancer, respiratory diseases and fibrosis, including multiple sclerosis, arthritis, emphysema, chronic obstructive pulmonary disease, liver and pulmonary fibrosis.

  本发明涉及式（I）的N-羟基酰胺衍生物及其用途，特别是用于治疗和/或预防自身免疫性疾病、炎症性疾病、心血管疾病、神经退行性疾病、癌症、呼吸道疾病和纤维化，包括多发性硬化症、关节炎、肺气肿、慢性阻塞性肺病、肝脏和肺部纤维化。
• Compounds for Inhibiting Beta-Amyloid Production
  申请人：Mullan Michael J.

  公开号：US20090017112A1

  公开（公告）日：2009-01-15

  Provided are compounds useful for treating diseases associated with a cerebral accumulation of Alzheimer's amyloid, such as Alzheimer's disease. Also provided are methods of treating or reducing the risk of developing β-amyloid production, β-amyloid deposition, β-amyloid neurotoxicity (including abnormal hyperphosphorylation of tau) and microgliosis associated with cerebral accumulation of Alzheimer's amyloid by administering therapeutically effective amounts of the compounds. Further provided are methods for diagnosing diseases associated with cerebral accumulation of Alzheimer's amyloid in animals or humans by administering diagnostically effective amounts of the compounds.

  提供了一些化合物，用于治疗与阿尔茨海默β淀粉样物质在脑中沉积相关的疾病，例如阿尔茨海默病。还提供了一些方法，通过给予治疗有效量的这些化合物，来治疗或减少β淀粉样物质的产生、β淀粉样物质的沉积、β淀粉样物质的神经毒性（包括tau异常的过度磷酸化）和与阿尔茨海默β淀粉样物质在脑中沉积相关的微胶质细胞增生。此外，还提供了一些方法，通过给予诊断有效量的这些化合物，在动物或人类身上诊断与阿尔茨海默β淀粉样物质在脑中沉积相关的疾病。
• N-Hydroxyamide Derivatives and Use Thereof
  申请人：Swinnen Dominique

  公开号：US20080021028A1

  公开（公告）日：2008-01-24

  The present invention is related to N-hydroxyamide derivatives of Formula (I) and use thereof, in particular for the treatment and/or prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, cancer, respiratory diseases and fibrosis, including multiple sclerosis, arthritis, emphysema, chronic obstructive pulmonary disease, liver and pulmonary fibrosis.

  本发明涉及公式（I）的N-羟基酰胺衍生物及其用途，特别用于治疗和/或预防自身免疫性疾病、炎症性疾病、心血管疾病、神经退行性疾病、癌症、呼吸系统疾病和纤维化，包括多发性硬化症、关节炎、肺气肿、慢性阻塞性肺疾病、肝脏和肺纤维化。
• N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF
  申请人：Swinnen Dominique

  公开号：US20110263628A1

  公开（公告）日：2011-10-27

  The present invention is related to N-hydroxyamide derivatives of Formula (I) and use thereof in particular for the treatment and/or prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, cancer, respiratory diseases and fibrosis, including multiple sclerosis, arthritis, emphysema, chronic obstructive pulmonary disease, liver and pulmonary fibrosis.

  本发明涉及公式（I）的N-羟基酰胺衍生物及其在特定领域的应用，尤其是用于治疗和/或预防自身免疫性疾病、炎症性疾病、心血管疾病、神经退行性疾病、癌症、呼吸系统疾病和纤维化，包括多发性硬化、关节炎、肺气肿、慢性阻塞性肺疾病、肝和肺纤维化。
• US8008302B2
  申请人：——

  公开号：US8008302B2

  公开（公告）日：2011-08-30