2-benzoyl-benz[d]isothiazol-3-one | 2527-04-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-benzoyl-benz[d]isothiazol-3-one
• 英文别名: 2-Benzoyl-benz[d]isothiazol-3-on；2-benzoyl-benzisothiazol-3-one；2-Benzoyl-1,2-benzothiazol-3-one
• CAS: 2527-04-0
• 化学式: C₁₄H₉NO₂S
• 分子量: 255.297
• InChiKey: WHAFQSPDQFNSPQ-UHFFFAOYSA-N

物化性质

• 沸点：
  432.2±28.0 °C(Predicted)
• 密度：
  1.398±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-benzoyl-benz[d]isothiazol-3-one 、 furan-2,3,5(4H)-trione pyridine (1:1) 、 丙酮 、 alkaline earth salt of/the/ methylsulfuric acid 生成 bis-(2-benzoylcarbamoyl-phenyl)-disulfide
  参考文献：
  名称：

  Reissert; Manns, Chemische Berichte, 1928, vol. 61, p. 1312

  摘要：

  DOI：
• 作为产物：
  描述：

  2-巯基苯甲酰胺 在 sodium hydroxide 、 air 作用下， 生成 2-benzoyl-benz[d]isothiazol-3-one
  参考文献：
  名称：

  Reissert; Manns, Chemische Berichte, 1928, vol. 61, p. 1312

  摘要：

  DOI：

文献信息

• McClelland; Reissert; Bartlett, Journal of the Chemical Society, 1940, p. 325
  作者：McClelland、Reissert、Bartlett

  DOI：——

  日期：——
• SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE
  申请人：THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

  公开号：US20180092908A1

  公开（公告）日：2018-04-05

  The present invention provides a method for treating or ameliorating the effects of a neurodegenerative disorder in a subject in need thereof. The method includes, for example, administering to the subject an effective amount of a compound selected from: combinations thereof, or an N-oxide, crystalline form, hydrate thereof, or a pharmaceutically acceptable salt thereof. The present invention also provides a method for treating or ameliorating the effects of a condition associated with increased protein disulfide isomerase (PDI) activity and a method of modulating PDI activity in a cell. The present invention also provides compounds, salts, compositions and kits useful for the provided methods.
• METHODS AND USES OF PROTEIN DISULFIDE ISOMERASE INHIBITORY COMPOUNDS
  申请人：The University of Vermont and State Agricultural College

  公开号：US20210353620A1

  公开（公告）日：2021-11-18

  Compositions and methods involving protein disulfide isomerase (PDI) inhibitors, such as protein disulfide isomerase A3 (PDIA3) inhibitory compounds, for human coronavirus, such as severe acute respiratory syndrome (SARS) virus (e.g., SARS-CoV-2), therapies are disclosed herein.

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