S31-M2001;N-己基-2-(1-萘基)-5-[[4-(磷酰氧基)苯基]甲基]-4-恶唑甲酰胺 | 1003580-86-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: S31-M2001;N-己基-2-(1-萘基)-5-[[4-(磷酰氧基)苯基]甲基]-4-恶唑甲酰胺
• 英文名称: S31-M2001
• 英文别名: phosphoric acid mono-[4-(4-hexylcarbamoyl-2-naphthalen-1-yl-oxazol-5-ylmethyl)-phenyl] ester；4-((4-(Hexylcarbamoyl)-2-(naphthalen-1-yl)oxazol-5-yl)methyl)phenyl dihydrogen phosphate；[4-[[4-(hexylcarbamoyl)-2-naphthalen-1-yl-1,3-oxazol-5-yl]methyl]phenyl] dihydrogen phosphate
• CAS: 1003580-86-6
• 化学式: C₂₇H₂₉N₂O₆P
• 分子量: 508.511
• InChiKey: NUEVMWXZKGBDPT-UHFFFAOYSA-N

物化性质

• 密度：
  1.291

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  122
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• [EN] STAT DEGRADERS AND USES THEREOF<br/>[FR] AGENTS DE DÉGRADATION DE STAT ET LEURS UTILISATIONS
  申请人：KYMERA THERAPEUTICS INC

  公开号：WO2020206424A1

  公开（公告）日：2020-10-08

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。
• INHIBITORS OF MITOCHONDRIAL STAT3 AND USES THEREOF IN MODULATION OF MAST CELL EXOCYTOSIS
  申请人：Yissum Research Development Company of the Hebrew University of Jerusalem Ltd

  公开号：US20160113900A1

  公开（公告）日：2016-04-28

  The invention provides composition of matter comprising at least one STAT3 inhibiting moiety or any vehicle, matrix, nano- or micro-particle comprising the same, associated with at least one mitochondrial targeting moiety. The invention further provides compositions comprising said mitochondrial-targeted STAT3 inhibitor, methods and uses thereof in inhibiting mast cell degranulation and in treating disorders induced by activation of MC.

  该发明提供了一种物质组合物，包括至少一种STAT3抑制基团或任何载体、基质、纳米或微粒，该组合物与至少一种线粒体靶向基团相关联。该发明还提供了包含所述线粒体靶向STAT3抑制剂的组合物，以及在抑制肥大细胞脱颗粒和治疗由MC激活引起的疾病中的方法和用途。
• [EN] INHIBITORS OF STAT3<br/>[FR] INHIBITEURS DE LA STAT3
  申请人：UNIV CENTRAL FLORIDA RES FOUND

  公开号：WO2010033685A1

  公开（公告）日：2010-03-25

  Disclosed herein are compounds derived from a chemical structure according to the formula (I) wherein X comprises oxygen or sulfur, R1 comprises a phenyl or naphthyl group, R2 comprises an amide group and R3 comprises a phosphate group. The disclosed compounds demonstrate inhibitory activity against STAT3, a protein found in certain tumor tissues and which promotes cellular overproliferation and resistance to apoptosis. The invention includes compositions containing the disclosed compounds, as well as methods of treatment therewith.

  本文披露了一些化学结构公式为(I)的化合物，其中X代表氧或硫，R1代表苯基或萘基，R2代表酰胺基，R3代表磷酸酯基。所披露的化合物表现出对STAT3的抑制活性，STAT3是一种在某些肿瘤组织中发现的蛋白质，它促进细胞过度增殖和对凋亡的抵抗。本发明包括含有所披露化合物的组合物，以及使用其进行治疗的方法。
• INHIBITORS OF STAT3
  申请人：Turkson James

  公开号：US20110223661A1

  公开（公告）日：2011-09-15

  Disclosed herein are compounds derived from a chemical structure according to the formula (I) wherein X comprises oxygen or sulfur, R 1 comprises a phenyl or naphthyl group, R 2 comprises an amide group and R 3 comprises a phosphate group. The disclosed compounds demonstrate inhibitory activity against STAT3, a protein found in certain tumor tissues and which promotes cellular overproliferation and resistance to apoptosis. The invention includes compositions containing the disclosed compounds, as well as methods of treatment therewith.
• PERITUMORAL AND INTRATUMORAL MATERIALS FOR CANCER THERAPY
  申请人：President and Fellows of Harvard College

  公开号：US20180021253A1

  公开（公告）日：2018-01-25

  The invention provides methods and compositions for reducing tumor-mediated immune evasion and inducing patient-specific immunization.