泛斗沙星 | 164150-99-6

• 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: 泛斗沙星
• 英文名称: 1-(5-fluoro-pyridin-2-yl)-6-fluoro-7-(4-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
• 英文别名: 6-fluoro-1-(5-fluoro-2-pyridinyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid；1-(5-fluoro-2-pyridyl)-6-fluoro-7-(4-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid；Fandofloxacin；6-fluoro-1-(5-fluoropyridin-2-yl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
• CAS: 164150-99-6
• 化学式: C₂₀H₁₈F₂N₄O₃
• 分子量: 400.385
• InChiKey: AWCAUUQZTXYMPB-UHFFFAOYSA-N

物化性质

• 沸点：
  606.7±55.0 °C(Predicted)
• 密度：
  1.447±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  77
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  泛斗沙星 以91的产率得到DW-116
  参考文献：
  名称：

  J. Heterocycl Chem. 1997, 34, 1021-1027

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4,5-三氟苯甲酰乙酸乙酯 在 盐酸 、 potassium carbonate 作用下， 以 乙醇 、 乙酸酐 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 33.5h， 生成 泛斗沙星
  参考文献：
  名称：

  一系列在N-1处带有5-氟-2-吡啶基或3-氟-4-吡啶基的新型吡啶酮羧酸抗菌剂的合成，药代动力学和生物学活性

  摘要：

  将1-（5-氟-2-吡啶基）或1-（3-氟-4-吡啶基）基团引入新的吡啶酮羧酸抗菌剂的合成中。1-（5-氟-2-吡啶基）-6-氟-1,4-二氢-7-（4-甲基-1-哌嗪基）-4-氧喹诺酮-3-羧酸7b（DW-116）显示体外抗菌活性中等，但发现它具有非常出色的药代动力学特征，因此7b（DW-116）的体内功效显着提高。

  DOI：

  10.1002/jhet.5570340348

文献信息

• Verwendung von Chilolin-Derivate als antibakterielle Wirkstoffe
  申请人：Schulz & Schlimbach GbR

  公开号：EP1408034A1

  公开（公告）日：2004-04-14

  Die vorliegende Erfindung betrifft die Verwendung von Chemotherapeutika zur Herstellung eines Arzneimittels zur topischen und/oder lokalen Behandlung von bakteriell verursachten Erkrankungen und/oder zur Prophylaxe bei Mensch oder Tier.

  本发明涉及使用化疗剂制造局部和/或局部治疗细菌引起的疾病和/或预防人类或动物疾病的药物。
• Methods and compositions for treating conditions associated with an abnormal inflammatory responses
  申请人：First Wave Bio, Inc.

  公开号：US10292951B2

  公开（公告）日：2019-05-21

  This disclosure features chemical entities (e.g., a compound exhibiting activity as a mitochondrial uncoupling agent or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof; e.g., a compound, such as niclosamide or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof; e.g., a compound, such as a niclosamide analog, or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof) that are useful, e.g., for treating one or more symptoms of a pathology characterized by an abnormal inflammatory response (e.g., inflammatory bowel diseases) in a subject (e.g., a human). This disclosure also features compositions as well as other methods of using and making the same.

  本公开的化学实体（例如，具有线粒体解偶联剂活性的化合物或其药学上可接受的盐和/或水合物和/或共晶体；例如，化合物，如烟酰胺或其药学上可接受的盐和/或水合物和/或共晶体；例如、化合物，如尼可刹米类似物，或其药学上可接受的盐和/或水合物和/或共晶体），这些化合物可用于治疗受试者（如人类）中以异常炎症反应（如炎症性肠病）为特征的病理学的一种或多种症状。本公开内容还包括组合物以及使用和制造组合物的其他方法。
• Controlled absorption water-soluble pharmaceutically active organic compound formulation for once-daily administration
  申请人：Counts David F.

  公开号：US10463611B2

  公开（公告）日：2019-11-05

  The present disclosure provides a once-daily water-soluble pharmaceutically active formulation for oral administration. In certain embodiments, the composition comprises a water-soluble pharmaceutically active organic compound incorporated into a small particulate, each particulate having a core of the water-soluble pharmaceutically active organic compound or an acceptable salt thereof in reversible association with a pharmaceutically acceptable drug-binding polymer. The core of the composition being surrounded by an insoluble water permeable membrane that is capable of delaying the dissolution of the pharmaceutically active compound therewithin and providing for extended release of the pharmaceutically active compound. In some embodiments, the formulation of the invention are designed to extend release of the pharmaceutically active organic compound for about 3 hours to about 8 hours, thereby enabling preparation of an extended release formulation for any pharmaceutically active compound with a half-life of from about 16 hours to about 21 hours.

  本公开提供了一种用于口服的每日一次水溶性药用活性制剂。在某些实施方案中，该组合物包括掺入小颗粒中的水溶性药用活性有机化合物，每个颗粒都有一个水溶性药用活性有机化合物或其可接受盐的核心，该核心与药学上可接受的药物结合聚合物可逆结合。组合物的核心由不溶性透水膜包围，该膜能够延迟其中的药用活性化合物的溶解，并延长药用活性化合物的释放时间。在某些实施方案中，本发明的制剂可将药用活性有机化合物的释放时间延长约 3 小时至约 8 小时，从而能够制备半衰期为约 16 小时至约 21 小时的任何药用活性化合物的缓释制剂。
• Methods and compositions for treating conditions associated with an abnormal inflammatory response
  申请人：First Wave Bio, Inc.

  公开号：US10772854B2

  公开（公告）日：2020-09-15

  This disclosure features chemical entities (e.g., a compound exhibiting activity as a mitochondrial uncoupling agent or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof; e.g., a compound, such as niclosamide or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof; e.g., a compound, such as a niclosamide analog, or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof) that are useful, e.g., for treating one or more symptoms of a pathology characterized by an abnormal inflammatory response (e.g., inflammatory bowel diseases) in a subject (e.g., a human). This disclosure also features compositions as well as other methods of using and making the same.

  本公开的化学实体（例如，具有线粒体解偶联剂活性的化合物或其药学上可接受的盐和/或水合物和/或共晶体；例如，化合物，如烟酰胺或其药学上可接受的盐和/或水合物和/或共晶体；例如、化合物，如尼可刹米类似物，或其药学上可接受的盐和/或水合物和/或共晶体），这些化合物可用于治疗受试者（如人类）中以异常炎症反应（如炎症性肠病）为特征的病理学的一种或多种症状。本公开内容还包括组合物以及使用和制造组合物的其他方法。
• Methods of treatment
  申请人：First Wave Bio, Inc.

  公开号：US10980756B1

  公开（公告）日：2021-04-20

  This disclosure features compounds and compositions that are useful in methods of treating coronavirus infections (e.g., useful in methods of treating COVID-19) in a subject in need thereof. The methods include administering to the subject niclosamide compounds (or pharmaceutically acceptable salts and/or co-crystals thereof, e.g., niclosamide). In some embodiments, the niclosamide compounds have one or more properties that include, but are not limited to: a particular purity (e.g., a chemical purity of greater than about 99.0%) or a particular particle size (e.g., a particular particle size distribution and/or a particular particle size range and/or a specific surface area range). In an aspect, the niclosamide compounds described herein (e.g., niclosamide) can form part of compositions, dosage forms (e.g., unit dosage forms), and the like, which are suitable for respiratory administration (e.g., via inhalation and/or intranasally). In another aspect, the niclosamide compounds described herein (e.g., niclosamide) can form part of compositions, dosage forms (e.g., unit dosage forms), and the like, which are suitable for administration to the GI tract (e.g., orally or rectally such as via enema)).

  本公开的化合物和组合物适用于治疗有需要的受试者的冠状病毒感染的方法（例如，适用于治疗COVID-19的方法）。这些方法包括向受试者施用烟酰胺化合物（或其药学上可接受的盐和/或共晶体，例如烟酰胺）。在一些实施方案中，烟酰胺化合物具有一种或多种特性，包括但不限于：特定的纯度（例如化学纯度大于约99.0%）或特定的粒度（例如特定的粒度分布和/或特定的粒度范围和/或比表面积范围）。在一个方面，本文所述的烟酰胺化合物（如烟酰胺）可以构成组合物、剂型（如单位剂型）等的一部分，适合呼吸道给药（如通过吸入和/或鼻内给药）。在另一方面，本文所述的烟酰胺化合物（如烟酰胺）可构成组合物、剂型（如单位剂型）等的一部分，适合于消化道给药（如口服或直肠给药，如通过灌肠））。