benzo[1,2,3]oxadiazole-5-carbaldehyde | 1369245-15-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶二唑类
• 英文名称: benzo[1,2,3]oxadiazole-5-carbaldehyde
• 英文别名: 1,2,3-Benzoxadiazole-5-carbaldehyde
• CAS: 1369245-15-7
• 化学式: C₇H₄N₂O₂
• 分子量: 148.121
• InChiKey: ZQVZKOWDSXXWST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-hydroxy-8-(trifluoromethyl)quinoline-3-carbohydrazide 、 benzo[1,2,3]oxadiazole-5-carbaldehyde 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以78%的产率得到4-hydroxy-8-trifluoromethyl-quinoline-3-carboxylic acid benzo[1,2,3]oxadiazol-5-ylmethylene-hydrazide
  参考文献：
  名称：

  Design, synthesis and docking studies of new quinoline-3-carbohydrazide derivatives as antitubercular agents

  摘要：

  Three new series of 4-hydroxy-8-trifluoromethyl-quinoline derivatives were synthesized through multi step reactions. All the newly synthesized compounds were characterized by spectral and elemental analyses. The structure of 5j was evidenced by X-ray crystallographic study. The newly synthesized title compounds were evaluated for their antimicrobial activities including antimycobacterial activity. Amongst the tested compounds, 5b, 5e, 5h, 5j, 6c and 7c displayed promising antimicrobial activity. The mode of action of these active compounds was carried out by docking of receptor enoyl-ACP reductase with newly synthesized candidate ligands, 5b, 5e, 5h, 5j and 6c. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.07.033

文献信息

• NOUVEAUX DERIVES DE 2,4-DIANILINOPYRIMIDINES, LEUR PREPARATION, A TITRE DE MEDICAMENTS, COMPOSITIONS PHARMACEUTIQUES ET NOTAMMENT COMME INHIBITEURS DE IKK
  申请人：Sanofi-Aventis

  公开号：EP1904479A2

  公开（公告）日：2008-04-02
• CLINICAL METHODS AND PHARMACEUTICAL COMPOSITIONS EMPLOYING AMPA RECEPTOR ANTAGONISTS TO TREAT GLIOBLASTOMA AND OTHER CANCERS
  申请人：With Great Power, LLC

  公开号：EP3829567A1

  公开（公告）日：2021-06-09
• US8981083B2
  申请人：——

  公开号：US8981083B2

  公开（公告）日：2015-03-17
• [EN] NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS<br/>[FR] NOUVEAUX DERIVES DE 2,4-DIANILINOPYRIMIDINES, LEUR PREPARATION, A TITRE DE MEDICAMENTS, COMPOSITIONS PHARMACEUTIQUES ET NOTAMMENT COMME INHIBITEURS DE IKK
  申请人：SANOFI AVENTIS

  公开号：WO2007006926A2

  公开（公告）日：2007-01-18

  [EN] The invention relates to products of formula (I) in which: R2, R3 and R4 represent one hydrogen and the others represent hydrogen, halogen, alkyl or alkoxy; R5 represents hydrogen or halogen; R1 represents hydrogen, cycloalkyl, alkyl, alkenyl or alkynyl, all of which being optionally substituted; A represents a single bond or -CH2-CO-NR6- with R6 being selected among the values of R1; the cycle containing Y (or (Y) cycle)) having 4 to 8 members with Y representing O, S, SO, SO2, N-R7 ((Y) cycle) that can contain a carbon bridge), C=O or the dioxolane therefor, CF2, CH-OR8, CH-NR8R9, and; R7 represents hydrogen, cycloalkyl, alkyl, CH2-alkenyl or CH2-alkynyl, all of which being optionally substituted; R8 represents hydrogen, alkyl, cycloalkyl or heterocycloalkyl, all of which being optionally substituted, these products existing in all isomeric forms and the salts. The invention also relates to the use of the aforementioned derivatives as medicaments, in particular, as IKK inhibitors.
  [FR] L'invention concerne les produits de formule (I) dans laquelle R2, R3 et R4 représentent l'un hydrogène et les autres hydrogène, halogène, alkyle ou alcoxy; R5 représente hydrogêne ou halogène; Rl représente hydrogène, cycloalkyle, alkyle, alkényle ou alkynyle, tous éventuellement substitués ; A représente simple liaison ou -CH2-CO-NR6- avec R6 est choisi parmi les valeurs de Rl; le cycle renfermant Y (ou cycle (Y) ) ayant 4 à 8 chaînons avec Y représente O, S, SO, SO2 , N-R7 (cycle (Y) pouvant renfermant un pont carboné) , C=O ou son dioxolanne, CF2 , CH-0R8, CH-NR8R9 ; et R7 représente hydrogène, cycloalkyle, alkyle, CH2 -alkényle ou CH2- alkynyle, éventuellement substitués ; R8 représente hydrogène, alkyle, cycloalkyle ou hétérocycloalkyle éventuellement substitués,- ces produits étant sous toutes les formes isomères et les sels, à titre de médicaments notamment comme inhibiteurs de IKK.
• [EN] CLINICAL METHODS AND PHARMACEUTICAL COMPOSITIONS EMPLOYING AMPA RECEPTOR ANTAGONISTS TO TREAT GLIOBLASTOMA AND OTHER CANCERS<br/>[FR] MÉTHODES CLINIQUES ET COMPOSITIONS PHARMACEUTIQUES UTILISANT DES ANTAGONISTES DES RÉCEPTEURS AMPA POUR TRAITER UN GLIOBLASTOME ET D'AUTRES CANCERS
  申请人：WITH GREAT POWER LLC

  公开号：WO2020023800A1

  公开（公告）日：2020-01-30

  Disclosed herein are compositions and methods employing AMPA Receptor (AMPR) antagonist compounds to treat AMPAR positive cancers in mammalian subjects. In certain detailed embodiments the AMPAR antagonist is a Perampanel compound, effective to mediate potent oncolytic effects to prevent or reduce the severity or recurrence of a variety of cancer forms, including central nervous system (CNS) cancers.