5-[(8-methoxyquinolin-4-yl)amino]pentyl nitrate | 47208-82-2

• 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
• 英文名称: 5-[(8-methoxyquinolin-4-yl)amino]pentyl nitrate
• 英文别名: 5-(N-(8-Methoxy-4-quinolyl)amino)pentyl nitrate
• CAS: 47208-82-2
• 化学式: C₁₅H₁₉N₃O₄
• 分子量: 305.334
• InChiKey: YBOILUNNGBGURC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  89.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-{[(2-Methoxyphenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione 在 硝酸 、 乙酸酐 、 溶剂黄146 、 三氯氧磷 作用下， 以 二苯醚 、 乙酸乙酯 为溶剂， 反应 8.0h， 生成 5-[(8-methoxyquinolin-4-yl)amino]pentyl nitrate
  参考文献：
  名称：

  [EN] SELECTIVE PFKFB4 INHIBITORS FOR THE TREATMENT OF CANCER
  [FR] INHIBITEURS SÉLECTIFS DE PFKFB4 POUR LE TRAITEMENT DU CANCER

  摘要：

  描述了用于抑制6-磷酸果糖激酶/果糖-2,6-二磷酸酶4（PFKFB4）并治疗癌症的方法和药物组合物。

  公开号：

  WO2016172499A1

文献信息

• INHIBITORS FOR THE TREATMENT OF CANCER AND RELATED METHODS
  申请人：UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC.

  公开号：US20190127329A1

  公开（公告）日：2019-05-02

  Some embodiments of the invention include inventive compounds. Other embodiments include compositions (e.g., pharmaceutical compositions) comprising the inventive compound. Still other embodiments of the invention include compositions (e.g., pharmaceutical compositions) for treating, for example, certain diseases using the compounds. Some embodiments include methods of using the inventive compound (e.g., in compositions or in pharmaceutical compositions) for administering and treating (e.g., diseases such as cancer). Further embodiments include methods for making the inventive compounds. Other embodiments include PFKFB4 inhibitors and methods of using the same that can target neoplastic cells, including, such as, mechanisms within those cells that relate to the use of the glycolytic pathway. In other embodiments, small molecule PFKFB4 inhibitors are used to disrupt the kinase domain of PFKFB4 and, in some instances, decrease the glucose metabolism and growth of human cancers. Additional embodiments of the invention are also discussed herein.

  一些实施例涉及创新化合物。其他实施例包括包含该创新化合物的组合物（例如，药物组合物）。发明的另一些实施例涉及使用这些化合物治疗特定疾病的组合物（例如，药物组合物）。一些实施例包括使用这些创新化合物的方法（例如，在组合物或药物组合物中）进行给药和治疗（例如，癌症等疾病）。进一步的实施例包括制备这些创新化合物的方法。其他实施例包括PFKFB4抑制剂及其使用方法，可以针对肿瘤细胞，包括与糖酵解途径有关的这些细胞内的机制。在其他实施例中，小分子PFKFB4抑制剂被用于破坏PFKFB4的激酶结构域，并且在某些情况下，降低人类癌症的葡萄糖代谢和生长。此外，还讨论了本发明的其他实施例。
• [EN] QUINOLINE DERIVATIVE, COMPOSITIONS COMPRISING THIS COMPOUND AND USES THEREOF IN THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉ DE QUINOLINE, COMPOSITIONS COMPRENANT CE COMPOSÉ ET UTILISATIONS ASSOCIÉES DANS LE TRAITEMENT DU CANCER
  申请人：UNIV LOUISVILLE RES FOUND INC

  公开号：WO2019046497A1

  公开（公告）日：2019-03-07

  Some embodiments of the invention include inventive compounds (e.g., compounds of Formula (I)). Other embodiments include compositions (e.g., pharmaceutical compositions) comprising the inventive compound. Still other embodiments of the invention include compositions (e.g., pharmaceutical compositions) for treating, for example, certain diseases using the inventive compounds. Some embodiments include methods of using the inventive compound (e.g., in compositions or in pharmaceutical compositions) for administering and treating (e.g., diseases such as cancer). Further embodiments include methods for making the inventive compounds. Additional embodiments of the invention are also discussed herein.

  该发明的一些实施例包括创新化合物（例如，符合式（I）的化合物）。其他实施例包括包括该创新化合物的组合物（例如，药物组合物）。该发明的另一些实施例包括使用该创新化合物的组合物（例如，药物组合物）来治疗，例如使用该创新化合物治疗某些疾病。一些实施例包括使用该创新化合物的方法（例如，在组合物或药物组合物中）进行给药和治疗（例如，癌症等疾病）。进一步的实施例包括制备该创新化合物的方法。此外，本文还讨论了该发明的其他实施例。
• Inhibitors for the treatment of cancer and related methods
  申请人：UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC.

  公开号：US10774046B2

  公开（公告）日：2020-09-15

  Some embodiments of the invention include inventive compounds. Other embodiments include compositions (e.g., pharmaceutical compositions) comprising the inventive compound. Still other embodiments of the invention include compositions (e.g., pharmaceutical compositions) for treating, for example, certain diseases using the compounds. Some embodiments include methods of using the inventive compound (e.g., in compositions or in pharmaceutical compositions) for administering and treating (e.g., diseases such as cancer). Further embodiments include methods for making the inventive compounds. Other embodiments include PFKFB4 inhibitors and methods of using the same that can target neoplastic cells, including, such as, mechanisms within those cells that relate to the use of the glycolytic pathway. In other embodiments, small molecule PFKFB4 inhibitors are used to disrupt the kinase domain of PFKFB4 and, in some instances, decrease the glucose metabolism and growth of human cancers. Additional embodiments of the invention are also discussed herein.

  本发明的某些实施方案包括本发明化合物。其他实施方案包括包含本发明化合物的组合物（如药物组合物）。本发明的另一些实施方案包括使用本发明化合物治疗例如某些疾病的组合物（例如药物组合物）。一些实施方案包括使用本发明化合物（例如在组合物中或在药物组合物中）施用和治疗（例如癌症等疾病）的方法。进一步的实施方案包括制造本发明化合物的方法。其它实施方案包括PFKFB4抑制剂和使用该抑制剂的方法，它们可以靶向肿瘤细胞，包括如这些细胞内与使用糖酵解途径有关的机制。在其他实施方案中，小分子 PFKFB4 抑制剂用于破坏 PFKFB4 的激酶结构域，并在某些情况下降低人类癌症的葡萄糖代谢和生长。本文还讨论了本发明的其他实施方案。
• Selective PFKFB4 inhibitors for the treatment of cancer
  申请人：UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC.

  公开号：US10881654B2

  公开（公告）日：2021-01-05

  Methods and pharmaceutical compositions for inhibiting 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 4 (PFKFB4) and the treatment of cancer are described.

  介绍了抑制 6-磷酸果糖-2-激酶/果糖-2,6-二磷酸酶 4（PFKFB4）和治疗癌症的方法和药物组合物。
• SELECTIVE PFKFB4 INHIBITORS FOR THE TREATMENT OF CANCER
  申请人：University Of Louisville Research Foundation, Inc.

  公开号：EP3285769A1

  公开（公告）日：2018-02-28