N-(2,5-dimethoxyphenyl)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N'-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-(2,5-dimethoxyphenyl)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N'-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
• 英文别名: 2-N-(2,5-dimethoxyphenyl)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-4-N-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
• 化学式: C26H23N7O5S2
• 分子量: 577.6
• InChiKey: LKJUKEFQTWPIKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  203
• 氢给体数：
  2
• 氢受体数：
  13

文献信息

• GASOTRANSMITTER METABOLITES AND ALZHEIMER'S DISEASE
  申请人：Board of Supervisors of Louisiana State University and Agricultural and Mechanical College

  公开号：US20210285938A1

  公开（公告）日：2021-09-16

  A method of diagnosing Alzheimer's disease and related dementias (ADRD) in a patient comprising obtaining a plasma sample from the patient; determining a level of a biochemical sulfide in the plasma sample from the subject by trapping volatilized H 2 S in the plasma sample using alkaline buffer with monobromobiamine, and detecting the level of biochemical sulfide in the plasma sample, the biochemical sulfide being one of acid-labile sulfide, bound sulfide, and total sulfide; and diagnosing the patient with ADRD when the level of the biochemical sulfide is at least an elevated threshold level for the biochemical sulfide.