N-benzyl-2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-2-thiophen-2-ylacetamide | 1360705-43-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-benzyl-2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-2-thiophen-2-ylacetamide
• CAS: 1360705-43-6
• 化学式: C₂₂H₂₀Cl₂N₂O₃S
• 分子量: 463.384
• InChiKey: GIBZAOFBSLISKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  86.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-噻吩甲醛 、 苄异腈 、 氯乙酸 、 3-氯-4-甲氧基苯胺 以 甲醇 为溶剂， 反应 48.0h， 生成 N-benzyl-2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-2-thiophen-2-ylacetamide
  参考文献：
  名称：

  Development of small-molecule probes that selectively kill cells induced to express mutant RAS

  摘要：

  Synthetic lethal screening is a chemical biology approach to identify small molecules that selectively kill oncogene-expressing cell lines with the goal of identifying pathways that provide specific targets against cancer cells. We performed a high-throughput screen of 303,282 compounds from the National Institutes of Health-Molecular Libraries Small Molecule Repository (NIH-MLSMR) against immortalized BJ fibroblasts expressing HRAS(G12V) followed by a counterscreen of lethal compounds in a series of isogenic cells lacking the HRAS(G12V) oncogene. This effort led to the identification of two novel molecular probes (PubChem CID 3689413, ML162 and CID 49766530, ML210) with nanomolar potencies and 4-23-fold selectivities, which can potentially be used for identifying oncogene-specific pathways and targets in cancer cells. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.047

文献信息

• [EN] GPX4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING GPX4-MEDIATED DISEASES<br/>[FR] INHIBITEURS DE GPX4, COMPOSITIONS PHARMACEUTIQUES ASSOCIÉES, ET LEUR UTILISATION POUR LE TRAITEMENT DE MALADIES MÉDIÉES PAR GPX4
  申请人：EUBULUS BIOTHERAPEUTICS INC

  公开号：WO2021183702A1

  公开（公告）日：2021-09-16

  Provided herein are GPX4 inhibitors, e.g., a compound of Formula (I), and pharmaceutical compositions thereof. Also provided herein are methods of their use for treating, preventing, or ameliorating one or more symptoms of a GPX4-mediated disorder, disease, or condition.

  本文提供了GPX4抑制剂，例如化合物I的公式，并其药物组合物。本文还提供了它们用于治疗、预防或缓解GPX4介导的疾病、疾病或状况的方法。
• 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.
• Development of small-molecule probes that selectively kill cells induced to express mutant RAS
  作者：Michel Weïwer、Joshua A. Bittker、Timothy A. Lewis、Kenichi Shimada、Wan Seok Yang、Lawrence MacPherson、Sivaraman Dandapani、Michelle Palmer、Brent R. Stockwell、Stuart L. Schreiber、Benito Munoz

  DOI：10.1016/j.bmcl.2011.09.047

  日期：2012.2

  Synthetic lethal screening is a chemical biology approach to identify small molecules that selectively kill oncogene-expressing cell lines with the goal of identifying pathways that provide specific targets against cancer cells. We performed a high-throughput screen of 303,282 compounds from the National Institutes of Health-Molecular Libraries Small Molecule Repository (NIH-MLSMR) against immortalized BJ fibroblasts expressing HRAS(G12V) followed by a counterscreen of lethal compounds in a series of isogenic cells lacking the HRAS(G12V) oncogene. This effort led to the identification of two novel molecular probes (PubChem CID 3689413, ML162 and CID 49766530, ML210) with nanomolar potencies and 4-23-fold selectivities, which can potentially be used for identifying oncogene-specific pathways and targets in cancer cells. (C) 2011 Elsevier Ltd. All rights reserved.