[4-(Diphenylmethyl)-1-piperazinyl]-(5-methyl-4-nitro-3-isoxazolyl)methanone | 902508-20-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [4-(Diphenylmethyl)-1-piperazinyl]-(5-methyl-4-nitro-3-isoxazolyl)methanone
• 英文别名: (4-benzhydrylpiperazin-1-yl)-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
• CAS: 902508-20-7
• 化学式: C₂₂H₂₂N₄O₄
• 分子量: 406.441
• InChiKey: LIQBVUZFMCEFNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  95.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [4-(Diphenylmethyl)-1-piperazinyl]-(5-methyl-4-nitro-3-isoxazolyl)methanone 在 sodium dithionite 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 以88%的产率得到(4-amino-5-methylisoxazol-3-yl)(4-benzhydrylpiperazin-1-yl)methanone
  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
• 作为产物：
  描述：

  二苯氯甲烷 在 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 2.0h， 生成 [4-(Diphenylmethyl)-1-piperazinyl]-(5-methyl-4-nitro-3-isoxazolyl)methanone
  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 PROTEIN DEGRADATION-INDUCING COMPOUND<br/>[FR] COMPOSÉ INDUISANT LA DÉGRADATION DE LA PROTÉINE GPX4<br/>[KO] GPX4 단백질 분해 유도 화합물
  申请人：UPPTHERA

  公开号：WO2022119362A1

  公开（公告）日：2022-06-09

  본 발명은 GPX4 단백질 분해 유도 화합물에 관한 것이다. 구체적으로, 본 발명은 GPX4 단백질 결합 모이어티와 CRBN E3 유비퀴틴 라이게이즈 결합 모이어티가 화학적 링커로 연결된 이기능성 화합물, 이의 제조방법, 이를 활용한 GPX4 단백질의 분해 방법 및 GPX4 관련 질환 또는 페롭토시스 관련 질환의 예방 또는 치료 용도 등을 제공한다.

  这项发明涉及GPX4蛋白质降解诱导化合物。具体而言，本发明提供了一种将GPX4蛋白质结合模因子和CRBN E3泛素连接酶结合模因子通过化学连接剂连接的这种功能化合物、其制备方法、利用其分解GPX4蛋白质的方法以及预防或治疗与GPX4相关疾病或过氧化脂质症相关疾病的用途等。
• 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.