2-(4-Bromo-2-chlorophenoxy)-N-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]acetamide

• 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-(4-Bromo-2-chlorophenoxy)-N-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]acetamide
• 英文别名: 4-(3-(2-(4-bromo-2-chlorophenoxy)acetyl)thioureido)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide；ZCL278；ZCL 278；2-(4-bromo-2-chlorophenoxy)-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenylcarbamothioyl)acetamide；2-(4-bromo-2-chlorophenoxy)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]acetamide
• 化学式: C₂₁H₁₉BrClN₅O₄S₂
• 分子量: 584.902
• InChiKey: XKZDWYDHEBCGCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  163
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-溴-2-氯苯酚 在 氯化亚砜 、 水 、 potassium carbonate 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 3.0h， 生成 2-(4-Bromo-2-chlorophenoxy)-N-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]acetamide
  参考文献：
  名称：

  Cdc42 Inhibitor and Uses Thereof

  摘要：

  提供了抑制小G蛋白Rho GTP酶细胞分裂周期蛋白Cdc42的化合物。对丝状伪足的形态分析、Ccd42磷酸化的西方印迹、对细胞愈合和生长锥形成的影响均表明，所述化合物能够抑制所有经过测试的Cdc42介导的过程。这些化合物有效地抑制了Cdc42的作用，并有效地抑制了涉及肌动蛋白的Cdc42相关细胞功能，如高尔基体组织和细胞运动。此外，所述的Cdc42抑制剂化合物可以作为治疗各种疾病的药物提供。

  公开号：

  US20140194451A1

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。
• [EN] CDC42 INHIBITOR AND USES THEREOF<br/>[FR] INHIBITEUR DE CDC42 ET SES UTILISATIONS
  申请人：ONCO BIOMEDICAL TECHNOLOGY SUZHOU CO LTD

  公开号：WO2012159456A1

  公开（公告）日：2012-11-29

  一种具有式I结构的化合物，该化合物能够用于制备Cdc42抑制剂。丝状伪足的形态学分析，Western blot Cdc42磷酸化及下游效应蛋白WASP的分析，以及细胞伤口愈合试验和生长锥的形成试验，均表明本发明提供的化合物能够抑制Cdc42参与的所有过程，有效抑制Cdc42的作用。有效抑制actin参与的细胞功能，如高尔基体组织和细胞运动。
• CDC42 INHIBITOR AND USES THEREOF
  申请人：ONCO Biomedical Technology (Suzhou) Co., Ltd

  公开号：EP2716292B1

  公开（公告）日：2017-09-06
• METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT
  申请人：Errico Joseph P.

  公开号：US20140179681A1

  公开（公告）日：2014-06-26

  Provided herein are compounds having anti-proliferative effect. Also provided are compounds that can modulate the activity of multi-domain proteins comprising a dimerization arm and interdomain tether, such as EGFR, where an untethered, extended conformation is the active state and a tethered conformation is the inactive state, resulting in an autoinhibited configuration. Also provided are methods and pharmacophores for identifying such compounds. Other aspects provide methods or therapeutic treatment for proliferative diseases, disorders, or conditions, such as those associated with EGFR.
• Cdc42 INHIBITOR AND USES THEREOF
  申请人：LU Qun

  公开号：US20150329496A1

  公开（公告）日：2015-11-19

  Compounds which inhibit the small G protein Rho GTPase cell division cycle protein Cdc42 are provided. Morphological analyses of filopodia, western blots of Ccd42 phosphorylation, and effects on cellular wound healing and on growth cone formation all demonstrate that the described compounds are able to inhibit all tested Cdc42-mediated processes. The compounds effectively inhibit the effects of Cdc42 and effectively Cdc42-related cellular functions involving actin, such as Golgi organization and cell movement. Furthermore, the described Cdc42 inhibitor compounds may be provided as a medicament for the treatment of various conditions.