哌嗪Erastin | 1538593-71-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 哌嗪Erastin
• 英文名称: 2-((4-(2-(4-chlorophenoxy)ethanoyl)piperazin-1-yl)methyl)-3-(2-isopropoxy-5-(piperazin-1-ylmethyl)phenyl)qiuinazolin-4(3H)-one
• 英文别名: piperazine erastin；Piperazine Erastin；2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-3-[5-(piperazin-1-ylmethyl)-2-propan-2-yloxyphenyl]quinazolin-4-one
• CAS: 1538593-71-3
• 化学式: C₃₅H₄₁ClN₆O₄
• 分子量: 645.201
• InChiKey: XGKULGPEBBYKCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  90
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-(5-bromo-2-isopropoxyphenyl)-2-((4-(2-(4-chlorophenoxy)ethanoyl)piperazin-1-yl)methyl)quinazolin-4(3H)-one 在 bis-triphenylphosphine-palladium(II) chloride 、 四氧化锇 、 zinc(II) chloride 作用下， 以 1,4-二氧六环 、 水 、 1,2-二氯乙烷 为溶剂， 反应 55.34h， 生成 哌嗪Erastin
  参考文献：
  名称：

  [EN] QUINAZOLINONE-BASED ONCOGENIC-RAS-SELECTIVE LETHAL COMPOUNDS
  [FR] COMPOSÉS LÉTAUX SÉLECTIFS POUR RAS ONCOGÈNE À BASE DE QUINAZOLINONE ET LEUR UTILISATION

  摘要：

  公开号：

  WO2014011973A3

文献信息

• QUINAZOLINONE-BASED ONCOGENIC-RAS-SELECTIVE LETHAL COMPOUNDS AND THEIR USE
  申请人：THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

  公开号：US20150175558A1

  公开（公告）日：2015-06-25

  The present invention provides, inter alia, compounds having the structure (1) compositions containing such compounds are also provided. Methods for using such compounds or compositions for treating or ameliorating the effects of a cancer having a cell that harbors an oncogenic RAS mutation, for modulating a lipoxygenase in a ferroptosis cell death pathway, and for depleting reduced glutathione (GSH) in a cell harboring an oncogenic RAS mutation are further provided.

  本发明提供了结构为（1）的化合物，还提供了含有这种化合物的组合物。还提供了使用这种化合物或组合物治疗或改善携带致癌RAS突变细胞的癌症的影响，调节铁死亡细胞途径中的脂氧合酶，以及耗竭携带致癌RAS突变细胞的还原型谷胱甘肽（GSH）的方法。
• INCREASING IMMUNE ACTIVITY THROUGH MODULATION OF POSTCELLULAR SIGNALING FACTORS
  申请人：FLAGSHIP PIONEERING INNOVATIONS V, INC.

  公开号：US20210251994A1

  公开（公告）日：2021-08-19

  The invention provides methods of increasing immune response by inducing iron-dependent cellular disassembly. The increase in immune response may be used, for example, for treatment of infection or cancer. The invention also provides screening assays for identification of compounds that induce iron-dependent cellular disassembly and are also immunostimulatory agents. The invention further provides methods for identifying immunostimulatory agents produced by cells undergoing iron-dependent cellular disassembly.
• US9695133B2
  申请人：——

  公开号：US9695133B2

  公开（公告）日：2017-07-04
• [EN] QUINAZOLINONE-BASED ONCOGENIC-RAS-SELECTIVE LETHAL COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS LÉTAUX SÉLECTIFS POUR RAS ONCOGÈNE À BASE DE QUINAZOLINONE ET LEUR UTILISATION
  申请人：UNIV COLUMBIA

  公开号：WO2014011973A2

  公开（公告）日：2014-01-16

  The present invention provides, inter alia, compounds having the structure (1) compositions containing such compounds are also provided. Methods for using such compounds or compositions for treating or ameliorating the effects of a cancer having a cell that harbors an oncogenic RAS mutation, for modulating a lipoxygenase in a ferroptosis cell death pathway, and for depleting reduced glutathione (GSH) in a cell harboring an oncogenic RAS mutation are further provided.
• [EN] COMBINATION ANTI-CANCER THERAPIES WITH INDUCERS OF IRON-DEPENDENT CELLULAR DISASSEMBLY<br/>[FR] POLYTHÉRAPIES ANTICANCÉREUSES AYANT DES INDUCTEURS DE DÉSASSEMBLAGE CELLULAIRE DÉPENDANT DU FER
  申请人：FLAGSHIP PIONEERING INNOVATIONS V INC

  公开号：WO2021127217A1

  公开（公告）日：2021-06-24

  The invention provides methods of treating a cancer in a subject, comprising administering to the subject a combination of (a) an anti-neoplastic agent and (b) an agent that induces iron-dependent cellular disassembly, thereby treating the cancer in the subject. In some embodiments, the cancer is resistant to the anti-neoplastic agent.