4-(3-(2-(4-methylphenoxy)acetyl)thioureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

• 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: 4-(3-(2-(4-methylphenoxy)acetyl)thioureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
• 英文别名: BA1-28；N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide
• 化学式: C₂₂H₂₃N₅O₄S₂
• 分子量: 485.588
• InChiKey: KISNDYIJDQVXSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  163
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• ROLES OF MODULATORS OF INTERSECTIN-CDC42 SIGNALING IN ALZHEIMER'S DISEASE
  申请人：East Carolina University

  公开号：US20190091184A1

  公开（公告）日：2019-03-28

  Methods of treating Alzheimer's disease and other neurodegenerative and/or neurocognitive and/or neurodevelopmental diseases are described. The methods comprise the administration of compounds that modulate an activity of cell division control protein 42 (Cdc42), such as the interaction between Cdc42 and intersectin (ITSN). Exemplary modulator compounds include thioureas, disulfonamides of fused aromatic systems (e.g., benzofuran), and acyl hydrazones, among others. Some of the modulator compounds act as activators of Cdc42, while others act as inhibitors. In some cases, the modulator compound has dual functionality and the ability of the modulator compound to act as an inhibitor or activator depends on whether or not Cdc42 is already activated in a particular disease stage or biological environment by an upstream activating signal of Cdc42.

  描述了治疗阿尔茨海默病和其他神经退行性和/或神经认知和/或神经发育疾病的方法。这些方法包括给予调节细胞分裂控制蛋白42（Cdc42）活性的化合物，例如Cdc42与交叉素（ITSN）之间的相互作用。示例调节剂化合物包括硫脲、融合芳香系统的二磺酰胺（例如苯并呋喃）和酰基肼等。其中一些调节剂化合物作为Cdc42的激活剂，而另一些作为抑制剂。在某些情况下，调节剂化合物具有双重功能，调节剂化合物作为抑制剂或激活剂的能力取决于Cdc42是否已经通过Cdc42的上游激活信号在特定疾病阶段或生物环境中被激活。