methyl 2-(chloroacetyl)-1,1-dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: methyl 2-(chloroacetyl)-1,1-dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
• 英文别名: methyl 2-(2-chloroacetyl)-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate
• 化学式: C₁₇H₁₉ClN₂O₃
• 分子量: 334.8
• InChiKey: YTNZJAMWMLPAQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  62.4
• 氢给体数：
  1
• 氢受体数：
  3

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。
• 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.
• US9695133B2
  申请人：——

  公开号：US9695133B2

  公开（公告）日：2017-07-04
• [EN] ONCOGENIC-RAS-SIGNAL DEPENDENT LETHAL COMPOUNDS<br/>[FR] COMPOSÉS LÉTAUX DÉPENDANTS DU SIGNAL DE RAS ONCOGÉNIQUE
  申请人：UNIV COLUMBIA

  公开号：WO2008103470A2

  公开（公告）日：2008-08-28

  [EN] Compounds with cancer cell specific lethality are provided. In particular, RAS-selective lethal compounds and compositions are provided. Also provided are methods of screening for such compounds and methods of treating a condition in a mammal, by administering to the mammal a therapeutically effective amount of such compounds or compositions.
  [FR] L'invention concerne des composés présentant une létalité spécifique pour les cellules cancéreuses. Plus particulièrement, elle concerne des composés et des compositions létaux à sélectivité RAS. L'invention se rapporte en outre à des méthodes de criblage de ces composés ainsi qu'à des méthodes de traitement d'une pathologie chez un mammifère par administration à ce mammifère d'une dose thérapeutiquement efficace de ces composés ou de ces compositions.
• [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.