1-(4-氯-3-(三氟甲基)苯基)-3-(4-(4-氰基苯氧基)苯基)脲 | 1313019-65-6

• 物质功能分类: 生物化工 - 生化试剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(4-氯-3-(三氟甲基)苯基)-3-(4-(4-氰基苯氧基)苯基)脲
• 英文名称: N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[4-(4-cyanophenoxy)phenyl]-urea
• 英文别名: 1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(4 cyanophenoxy)phenyl)-urea；SC-1；1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-cyanophenoxy)phenyl)urea；1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(4-cyanophenoxy)phenyl]urea
• CAS: 1313019-65-6
• 化学式: C₂₁H₁₃ClF₃N₃O₂
• 分子量: 431.801
• InChiKey: HVPZDXDXIQZKHU-UHFFFAOYSA-N

物化性质

• 溶解度：
  DMSO：可溶15mg/mL，澄清

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  74.2
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险性防范说明：
  P264,P273,P280,P305+P351+P338,P337+P313,P501
• 危险性描述：
  H315,H413
• 储存条件：
  2-8°C

反应信息

• 作为产物：
  描述：

  三光气 、 4-(4-氨基苯氧基)苯甲腈 、 2-氯-5-氨基三氟甲苯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以80%的产率得到1-(4-氯-3-(三氟甲基)苯基)-3-(4-(4-氰基苯氧基)苯基)脲
  参考文献：
  名称：

  [EN] AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME
  [FR] AGONISTES DE PROTÉINE TYROSINE PHOSPHATASE-1 CONTENANT UN DOMAINE D'HOMOLOGIE SRC-2 ET PROCÉDÉS DE TRAITEMENT L'EMPLOYANT

  摘要：

  本发明提供了式I、II或III的新化合物，这些化合物具有Src同源-2含有蛋白酪氨酸磷酸酶-1（SHP-1）激动剂活性。同时，本发明还提供了使用式I、II或III的化合物进行治疗的方法。

  公开号：

  WO2013020014A1

文献信息

• [EN] SORAFENIB ANALOGS AND USES THEREOF<br/>[FR] ANALOGUES DE SORAFENIB ET LEURS UTILISATIONS
  申请人：UNIV COLUMBIA

  公开号：WO2015051149A1

  公开（公告）日：2015-04-09

  The present invention provides, inter alia, compounds according to formula I. Also provided are pharmaceutical compositions and kits containing such compounds. Methods for using such compounds, compositions, and kits for treating a subject having system xc-, dysregulation for activating ferroptosis, for inhibiting system xc- in a cell, and for monitoring treatment of a subject having system xc- dysregulation are provided as well.

  本发明提供了根据式I的化合物，还提供了含有这种化合物的药物组合物和试剂盒。还提供了使用这种化合物、组合物和试剂盒治疗具有系统xc-失调以激活铁死亡、在细胞中抑制系统xc-以及监测具有系统xc-失调的受试者治疗的方法。
• Sorafenib derivatives induce apoptosis through inhibition of STAT3 independent of Raf
  作者：Kuen-Feng Chen、Wei-Tien Tai、Jui-Wen Huang、Cheng-Yi Hsu、Wei-Lin Chen、Ann-Lii Cheng、Pei-Jer Chen、Chung-Wai Shiau

  DOI：10.1016/j.ejmech.2011.04.007

  日期：2011.7

  STAT3 is a transcription factor that modulates survival-directed transcription. It is persistently activated in many human cancers. Literature has shown that sorafenib, Raf kinase inhibitor, reduces Phospho-STAT3 and induces cell death. A series of sorafenib derivatives were synthesized as new inhibitors for STAT3. Urea, sulfonamide, and carboxamide linkers brought out different SARs from the end of sorafenib. Urea and carboxamide linked derivatives showed greater inhibition against STAT3 activity than sulfonamide linked derivatives. In particular, 1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-cyanophenoxy) phenyl)urea (1), a urea linker, was as potent as sorafenib in reducing P-STAT3 level and cell death but no inhibition for Raf activity. Such result provides a new lead for the design of STAT3 inhibitors. (C) 2011 Elsevier Masson SAS. All rights reserved.
• AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME
  申请人：National Taiwan University

  公开号：EP2739139B1

  公开（公告）日：2019-09-25
• METHODS FOR PREVENTING OR TREATING CANCER RESISTANCE TO EGFR INHIBITION
  申请人：INSERM - Institut National de la Santé et de la Recherche Médicale

  公开号：EP3641818A1

  公开（公告）日：2020-04-29
• METHOD FOR SCREENING ANTI-CANCER DRUGS AND METHOD OF CANCER TREATMENT
  申请人：National Taiwan University

  公开号：US20140148482A1

  公开（公告）日：2014-05-29

  The present application provides a method for screening compounds for cancer treatment comprising treating cancer cells with a candidate compound for sufficient time for detectable expression of a gene selected from GADD45 family; and detecting the level of expression of the gene as compared to the level of expression in the absence of the candidate compound; wherein an increased level of expression in the presence of the candidate compound as compared to expression in the absence of the candidate compound indicates that the candidate compound acts as an inhibitor of the cancer cells. In some embodiments, the method can be used for screening compounds for treatment of sorafenib-resistant hepatocellular carcinoma. The present application further provides a method for treating hepatocellular carcinoma comprising administering to a subject having hepatocellular carcinoma a therapeutic effective amount of an agonist of GADD45 family.