4-bromo-N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]benzenesulfonamide | 708242-00-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-bromo-N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]benzenesulfonamide
• CAS: 708242-00-6
• 化学式: C₁₈H₁₃BrN₄O₃S₂
• 分子量: 477.362
• InChiKey: JRDUVAUQGLWQSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  142
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-溴苯磺酰胺 在 sodium dithionite 、 titanium(IV) chloride tetrahydrofuran 、 水 、 三乙胺 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 生成 4-bromo-N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]benzenesulfonamide
  参考文献：
  名称：

  Identification of a Novel Family of BRAF^V600E Inhibitors

  摘要：

  The BRAF oncoprotein is mutated in about half of malignant melanomas and other cancers, and a kinase activating single valine to glutamate substitution at residue 600 (BRAF(V600E)) accounts for over 90% of BRAF-mediated cancers. Several BRAF(V600E) inhibitors have been developed, although they harbor some liabilities, thus motivating the development of other BRAF(V600E) inhibitor options. We report here the use of an ELISA based high-throughput screen to identify a family of related quinolol/naphthol compounds that preferentially inhibit BRAF(V600E) over BRAF(WT) and other kinases. We also report the X-ray crystal structure of a BRAF/quinolol complex revealing the mode of inhibition, employ structure-based medicinal chemistry efforts to prepare naphthol analogues that inhibit BRAF(V600E) in vitro with IC50 values in the 80-200 nM range under saturating ATP concentrations, and demonstrate that these compounds inhibit MAPK signaling in melanoma cells. Prospects for improving the potency and selectivity of these inhibitors are discussed.

  DOI：

  10.1021/jm3004416

文献信息

• 一类新型细胞信号传导和基因转录激活因子3型(STAT3)抑制剂的制备和用途
  申请人：河南省锐达医药科技有限公司

  公开号：CN108498503A

  公开（公告）日：2018-09-07

  本发明属于医药生物领域，具体提供了一类有效的细胞信号传导和基因转录激活因子3型(STAT3)的信号传导抑制的化合物的设计及制备方法，以及其主要在乳腺癌临床治疗的应用。细胞内STAT3信号传导系统调控机制异常存在于多种乳腺癌的细胞株中，本发明涉及的化合物对STAT3信号的传导有明显抑制作用，对乳腺癌的临床治疗及研究有潜在的重要意义。
• Methods and compositions for treatment of fibrosis
  申请人：Baylor College of Medicine

  公开号：US10112933B2

  公开（公告）日：2018-10-30

  Embodiments of the invention include methods of treating, preventing, and/or reducing the risk of fibrosis in an individual in need thereof. In some embodiments, particular small molecules are employed for treatment, prevention, and/or reduction of the risk of fibrosis. In at least particular cases, the small molecules are inhibitors of STAT3.

  本发明的实施方案包括治疗、预防和/或降低有需要的个体纤维化风险的方法。在某些实施方案中，采用特定的小分子来治疗、预防和/或降低纤维化的风险。至少在特定情况下，小分子是 STAT3 的抑制剂。
• Methods for inhibiting fascin
  申请人：Novita Pharmaceuticals, Inc.

  公开号：US10208043B2

  公开（公告）日：2019-02-19

  Provided are compositions and methods for treating a condition or disorder mediated by fascin activity in a subject in need thereof which method comprises administering to the subject a therapeutically effective amount of at least one compound of any one of Formula I-a to I-n, II, II-a, II-b or III or a pharmaceutically acceptable salt thereof.

  提供了用于治疗有需要的受试者中由 fascin 活性介导的病症或紊乱的组合物和方法，该方法包括向受试者施用治疗有效量的至少一种式 I-a 至 I-n、II、II-a、II-b 或 III 中任何一种的化合物或其药学上可接受的盐。
• Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia
  申请人：Baylor College of Medicine

  公开号：US10676455B2

  公开（公告）日：2020-06-09

  Embodiments of the invention include methods of treating, preventing, and/or reduce the risk or severity of a condition selected from the group consisting of muscle wasting, muscle weakness, cachexia, and a combination thereof in an individual in need thereof. In some embodiments, particular small molecules are employed for treatment, prevention, and/or reduction in the risk of muscle wasting. In at least particular cases, the small molecules are inhibitors of STAT3.

  本发明的实施方案包括治疗、预防和/或降低有需要的个体发生选自肌肉萎缩、肌无力、恶病质及其组合的疾病的风险或严重程度的方法。在某些实施方案中，采用特定的小分子来治疗、预防和/或降低肌肉萎缩的风险。至少在特定情况下，小分子是 STAT3 的抑制剂。
• METHODS FOR INHIBITING FASCIN
  申请人：Cornell University

  公开号：EP2888010A2

  公开（公告）日：2015-07-01