N-benzyl-4-{4-oxo-2-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}butanamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-benzyl-4-{4-oxo-2-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}butanamide
• 英文别名: N-benzyl-4-[4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]butanamide
• 化学式: C₂₆H₃₀N₄O₄S
• 分子量: 494.6
• InChiKey: KAGVUCBIIIEDGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Chemical inhibition of the E3 ligase subunit FBXO7 confers neuroprotection and anti-inflammatory activity by stabilizing mitochondria
  申请人：University of Pittsburgh—Of the Commonwealth System of Higher Education

  公开号：US11242339B2

  公开（公告）日：2022-02-08

  A method for treating a neurodegenerative disease or an inflammatory disorder in a subject, comprising administering to the subject in need thereof, a compound, or a pharmaceutically acceptable salt thereof, of formula II: wherein each of R3-R7 is independently H, halogen, optionally-substituted alkyl, amino, alkoxy or hydroxy; R8 is an optionally-substituted heterocycloalkyl; and a is 0 to 3.

  一种治疗受试者的神经退行性疾病或炎症性疾病的方法，包括向有需要的受试者施用式 II 的化合物或其药学上可接受的盐： 其中R3-R7各自独立地为H、卤素、任选取代的烷基、氨基、烷氧基或羟基； R8 是任选取代的杂环烷基；以及 a 为 0 至 3。
• CHEMICAL INHIBITION OF THE E3 LIGASE SUBUNIT FBXO7 CONFERS NEUROPROTECTION AND ANTI-INFLAMMATORY ACTIVITY BY STABILIZING MITOCHONDRIA
  申请人：University of Pittsburgh - Of the Commonwealth System of Higher Education

  公开号：US20200216426A1

  公开（公告）日：2020-07-09

  A method for treating a neurodegenerative disease or an inflammatory disorder in a subject, comprising administering to the subject in need thereof, a compound, or a pharmaceutically acceptable salt thereof, of formula II: wherein each of R 3 -R 7 is independently H, halogen, optionally-substituted alkyl, amino, alkoxy or hydroxy; R 8 is an optionally-substituted heterocycloalkyl; and a is 0 to 3.
• [EN] CHEMICAL INHIBITION OF THE E3 LIGASE SUBUNIT FBX07 CONFERS NEUROPROTECTION AND ANTI-INFLAMMATORY ACTIVITY BY STABILIZING MITOCHONDRIA<br/>[FR] INHIBITION CHIMIQUE DE SOUS-UNITÉ DE LIGASE E3 FBX07 PROCURANT UNE NEUROPROTECTION ET UNE ACTIVITÉ ANTI-INFLAMMATOIRE PAR STABILISATION DES MITOCHONDRIES
  申请人：UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION

  公开号：WO2019005685A1

  公开（公告）日：2019-01-03

  A method for treating a neurodegenerative disease or an inflammatory disorder in a subject, comprising administering to the subject in need thereof, a compound, or a pharmaceutically acceptable salt thereof, of formula II: wherein each of R3-R7 is independently H, halogen, optionally-substituted alkyl, amino, alkoxy or hydroxy; R8 is an optionally-substituted heterocycloalkyl; and a is 0 to 3.