methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)benzoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)benzoate
• 英文别名: methyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
• 化学式: C₁₄H₁₀N₂O₃S
• 分子量: 286.311
• InChiKey: FHGBBPCSVBYELO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  84.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-巯基烟酸 在 氢氧化钾 、 三甲基乙酰氯 、 三乙胺 、 间氯过氧苯甲酸 、 三氯乙酸酐 作用下， 以 二氯甲烷 、 水 、 异丙醇 为溶剂， 反应 26.25h， 生成 methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)benzoate
  参考文献：
  名称：

  Heteroaryl-Fused 2-Phenylisothiazolone Inhibitors of Cartilage Breakdown

  摘要：

  The synthesis, biological evaluation, and structure-activity relationships of a series of N-phenyl heteroaryl-fused isothiazolones are described. These isothiazolones have been shown to exhibit potent, dose-dependent inhibition of IL-1 beta-induced breakdown of proteoglycan in a cartilage organ culture assay. This effect is likely due to inhibition of MMP activation and a consequent reduction in MMP activity following IL-1 beta stimulation. Thus these compounds potentially represent simple, non-peptidic disease-modifying agents for the treatment of arthritic diseases. To examine the effects of structure on in vitro activity, three general features of the molecules were varied, substituents on the pendant N-phenyl group, the position of ring fusion to the isothiazolone, and substituents on the fused ring peri to the isothiazolone sulfur.

  DOI：

  10.1021/jm00045a012

文献信息

• [EN] PEPTIDOMIMETICS FOR THE TREATMENT OF CORONAVIRUS AND PICORNAVIRUS INFECTIONS<br/>[FR] PEPTIDOMIMÉTIQUES POUR LE TRAITEMENT D'INFECTIONS PAR CORONAVIRUS ET PICORNAVIRUS
  申请人：UNIV EMORY

  公开号：WO2020247665A1

  公开（公告）日：2020-12-10

  Compounds, compositions and methods for preventing, treating or curing a coronavirus, picornavirus, and/or Hepeviridae virus infection in human subjects or other animal hosts. Specific viruses that can be treated include enteroviruses. In one embodiment, the compounds can be used to treat an infection with a severe acute respiratory syndrome virus, such as human coronavirus 229E, SARS, MERS, SARS-CoV-1 (OC43), and SARS-CoV- 2. In another embodiment, the methods are used to treat a patient co-infected with two or more of these viruses, or a combination of one or more of these viruses and norovirus.

  用于预防、治疗或治愈人类主体或其他动物宿主中的冠状病毒、小RNA病毒和/或肝炎病毒感染的化合物、组合物和方法。可治疗的特定病毒包括肠病毒。在一个实施例中，这些化合物可用于治疗严重急性呼吸综合征病毒感染，如人类冠状病毒229E、SARS、MERS、SARS-CoV-1（OC43）和SARS-CoV-2。在另一个实施例中，这些方法用于治疗患有两种或更多这些病毒的患者，或一种或多种这些病毒与诺如病毒的组合。
• Peptidomimetics for the treatment of coronavirus and picornavirus infections
  申请人：Emory University

  公开号：US11207370B2

  公开（公告）日：2021-12-28

  Compounds, compositions and methods for preventing, treating or curing a coronavirus, picornavirus, and/or hepeviridae virus infection in human subjects or other animal hosts. Specific viruses that can be treated include enteroviruses. In one embodiment, the compounds can be used to treat an infection with a severe acute respiratory syndrome virus, such as human coronavirus 229E, SARS, MERS, SARS-CoV-1 (OC43), and SARS-CoV-2. In another embodiment, the methods are used to treat a patient co-infected with two or more of these viruses, or a combination of one or more of these viruses and norovirus.

  用于预防、治疗或治愈人类或其他动物宿主冠状病毒、皮卡病毒和/或肝病毒科病毒感染的化合物、组合物和方法。可治疗的特定病毒包括肠道病毒。在一个实施方案中，化合物可用于治疗严重急性呼吸系统综合征病毒感染，如人冠状病毒 229E、SARS、MERS、SARS-CoV-1（OC43）和 SARS-CoV-2。在另一个实施方案中，这些方法用于治疗合并感染两种或两种以上这些病毒的患者，或合并感染一种或多种这些病毒和诺如病毒的患者。
• COMBINED MODALITIES FOR NUCLEOSIDES AND/OR NADPH OXIDASE (NOX) INHIBITORS AS MYELOID-SPECIFIC ANTIVIRAL AGENTS
  申请人：Emory University

  公开号：EP3732180A1

  公开（公告）日：2020-11-04
• PEPTIDOMIMETICS FOR THE TREATMENT OF CORONAVIRUS AND PICORNAVIRUS INFECTIONS
  申请人：Emory University

  公开号：US20210008150A1

  公开（公告）日：2021-01-14

  Compounds, compositions and methods for preventing, treating or curing a coronavirus, picornavirus, and/or hepeviridae virus infection in human subjects or other animal hosts. Specific viruses that can be treated include enteroviruses. In one embodiment, the compounds can be used to treat an infection with a severe acute respiratory syndrome virus, such as human coronavirus 229E, SARS, MERS, SARS-CoV-1 (OC43), and SARS-CoV-2. In another embodiment, the methods are used to treat a patient co-infected with two or more of these viruses, or a combination of one or more of these viruses and norovirus.
• [EN] INHIBITORS OF NOX ENZYMES AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS D'ENZYMES NOX ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV EMORY

  公开号：WO2011062864A2

  公开（公告）日：2011-05-26

  Inhibitors of Nox enzymes, such as Noxl, Nox2, and Nox3, and methods of making and using such compounds are describe herein.