2,2’-disulfanediylbis(3-fluorobenzamide)

• 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: 2,2’-disulfanediylbis(3-fluorobenzamide)
• 英文别名: 2-[(2-Carbamoyl-6-fluoro-phenyl)disulfanyl]-3-fluoro-benzamide；2-[(2-carbamoyl-6-fluorophenyl)disulfanyl]-3-fluorobenzamide
• 化学式: C₁₄H₁₀F₂N₂O₂S₂
• 分子量: 340.374
• InChiKey: MEGGASKLXNYFDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  137
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,2’-disulfanediylbis(3-fluorobenzamide) 在 溴 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 34.0h， 生成 2,2'-(piperazine-1,4-diylbis(methylene))bis(7-fluorobenzo[d]isothiazol-3(2H)-one)
  参考文献：
  名称：

  [EN] NEUROPROTECTIVE PDI MODULATING SMALL MOLECULES AND METHODS OF USE THEREOF
  [FR] PETITES CELLULES MODULANT LE PDI NEUROPROTECTEUR ET LEURS MÉTHODES D'UTILISATION

  摘要：

  本公开提供具有以下式(I)所定义的化合物和组合物，等等。还提供使用和制备这种化合物和组合物的方法。本公开还提供筛选方法，包括可检测的探针，以及诊断方法和监测疾病进展的方法，如神经退行性疾病。

  公开号：

  WO2020113222A1
• 作为产物：
  描述：

  2-[(2-Carbonochloridoyl-6-fluorophenyl)disulfanyl]-3-fluorobenzoyl chloride 在 氨 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 生成 2,2’-disulfanediylbis(3-fluorobenzamide)
  参考文献：
  名称：

  Antimicrobial activity of fluorinated 1,2-benzisothiazol-3(2H)-ones and 2,2′-dithiobis(benzamides)

  摘要：

  Fluoro and trifluoromethyl derivatives of 1,2-benzisothiazol-3(2H)-ones and the 2,2'-dithiobis(benzamides) have been prepared and their antifungal and antibacterial activity evaluated. Several compounds were found highly active against fungi and Gram-positive microorganisms and a few derivatives displayed some activity against Gram-negative strains. Structure-activity relationships are proposed.

  DOI：

  10.1016/0223-5234(94)90132-5

文献信息

• 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.
• [EN] BENZOTHIAZEPINONES AND THEIR USE AS ANTICONVULSANTS
  申请人：THE BOOTS COMPANY PLC

  公开号：WO1992021668A1

  公开（公告）日：1992-12-10

  (EN) Compounds of formula (I) in which n = 0, 1 or 2; R1 independently represents halo, alkyl of 1 to 4 carbon atoms or alkoxy, haloalkyl of 1 to 4 carbon atoms, nitro, cyano, carboxy, alkanoyl of 1 to 4 carbon atoms, optionally alkylated carbamoyl or optionally alkylated sulphamoyl; R2, R3, R4, R5 and R6 independently represent hydrogen or alkyl of 1 to 4 carbon atoms; and m = 0 or an integer from 1 to 4 have utility as anticonvulsants in the treatment of neurological disorders such as epilepsy.(FR) On décrit des composés de formule (I) dans laquelle n = 0, 1 ou 2; R1 représente indépendamment un halo, un alcoyle comportant de 1 à 4 atomes de carbone ou un alcoxy, un haloalcoyle de 1 à 4 atomes de carbone, un nitro, un cyano, un carboxy, un alcanoyle comportant de 1 à 4 atomes de carbone, éventuellement un carbamoyle alkylaté ou éventuellement un sulfamoyle alkylaté; R2, R3, R4, R5 et R6 représentent indépendemment l'hydrogène ou un alcoyle comportant de 1 à 4 atomes de carbone; et m = 0 ou un nombre entier de 1 à 4. Lesdits composés sont destinés à être utilisés comme anticonvulsivants pour le traitement de troubles neurologiques tel que l'épilepsie.
• [EN] NEUROPROTECTIVE PDI MODULATING SMALL MOLECULES AND METHODS OF USE THEREOF<br/>[FR] PETITES CELLULES MODULANT LE PDI NEUROPROTECTEUR ET LEURS MÉTHODES D'UTILISATION
  申请人：UNIV COLUMBIA

  公开号：WO2020113222A1

  公开（公告）日：2020-06-04

  The present disclosure provides, inter alia, compounds and compositions having the formula (I) as defined herein. Methods of using and making such compounds and compositions are also provided. The present disclosure further provides screening methods, including detectable probes as well as diagnostic methods and methods for monitoring the progress of a disease, such as a neurodegenerative disease.

  本公开提供具有以下式(I)所定义的化合物和组合物，等等。还提供使用和制备这种化合物和组合物的方法。本公开还提供筛选方法，包括可检测的探针，以及诊断方法和监测疾病进展的方法，如神经退行性疾病。
• Antimicrobial activity of fluorinated 1,2-benzisothiazol-3(2H)-ones and 2,2′-dithiobis(benzamides)
  作者：ML Carmellino、G Pagani、M Pregnolato、M Terreni、F Pastoni

  DOI：10.1016/0223-5234(94)90132-5

  日期：1994.1

  Fluoro and trifluoromethyl derivatives of 1,2-benzisothiazol-3(2H)-ones and the 2,2'-dithiobis(benzamides) have been prepared and their antifungal and antibacterial activity evaluated. Several compounds were found highly active against fungi and Gram-positive microorganisms and a few derivatives displayed some activity against Gram-negative strains. Structure-activity relationships are proposed.