4-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpyridine-2-carboxamide | 847054-10-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpyridine-2-carboxamide
• 英文别名: 4-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpicolinamide；4-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
• CAS: 847054-10-8
• 化学式: C₂₁H₁₆F₄N₄O₃
• 分子量: 448.377
• InChiKey: GAIMEGFGECDUEN-UHFFFAOYSA-N

物化性质

• 沸点：
  488.3±45.0 °C(Predicted)
• 密度：
  1.438±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  92.4
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-氯-2-吡啶甲酸 在 草酰氯 、 potassium tert-butylate 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 109.94h， 生成 4-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpyridine-2-carboxamide
  参考文献：
  名称：

  [EN] KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER
  [FR] COMPOSÉS INHIBITEURS DE KINASE, COMPOSITIONS ET MÉTHODES DE TRAITEMENT DU CANCER

  摘要：

  公开号：

  WO2018035346A8

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。
• Kinase inhibitor compounds, compositions, and methods of treating cancer
  申请人：ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI

  公开号：US10519113B2

  公开（公告）日：2019-12-31

  The present invention relates to a compound having the structure of formula (I) or a stereoisomer, pharmaceutically acceptable salt, oxide, or solvate thereof, where X, Y, Z, R, R1, R2, R3, R4, R5, and R6 are as described herein. The present invention also relates to compositions containing the compound having the structure of formula (I), and a method of treating cancer in a subject.

  本发明涉及一种具有式（I）结构的化合物或其立体异构体、药学上可接受的盐、氧化物或溶液，其中 X、Y、Z、R、R1、R2、R3、R4、R5 和 R6 如本文所述。本发明还涉及含有具有式（I）结构的化合物的组合物，以及治疗受试者癌症的方法。
• KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER
  申请人：Icahn School of Medicine at Mount Sinai

  公开号：EP3500257A1

  公开（公告）日：2019-06-26
• METHODS OF CANCER TREATMENT
  申请人：Ferro Therapeutics, Inc.

  公开号：US20200138829A1

  公开（公告）日：2020-05-07

  The present disclosure relates to a method of treating a subject with cancer with a ferroptosis inducer, including use of the ferroptosis inducer in combination with a second therapeutic agent.
• [EN] CERTAIN SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY<br/>[FR] CERTAINES URÉES SUBSTITUÉES COMME MODULATEURS DE L'ACTIVITÉ DE KINASES
  申请人：GILEAD CONNECTICUT INC

  公开号：WO2011046991A2

  公开（公告）日：2011-04-21

  At least one compound of Formula I or a pharmaceutically acceptable salt thereof, are provided herein. Pharmaceutical compositions comprising at least one one compound of Formula I or a pharmaceutically acceptable salt and one or more pharmaceutically acceptable vehicle chosen from carriers, adjuvants, and excipients, are also provided herein. Methods of treating patients suffering from certain diseases and disorders responsive to angiogenic kinase modulation, which comprise administering to such patients an amount of at least one compound of Formula I or a pharmaceutically acceptable salt effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include cancer, including breast neoplasia, endometrial cancer, colon cancer, and neck squamous cell carcinoma. Methods of treatment include administering at least one compound of Formula I or a pharmaceutically acceptable salt as a single active agent or administering such at least one compound of Formula I or a pharmaceutically acceptable salt in combination with one or more other therapeutic agents. A method for determining the presence or absence of an angiogenic kinase in a sample comprising contacting the sample with at least one compound of Formula I or a pharmaceutically acceptable salt under conditions that permit detection of activity of the angiogenic kinase, detecting a level of the activity of the angiogenic kinase, and therefrom determining the presence or absence of the angiogenic kinase in the sample.