(3E,5E)-1-((2,5-二氢-1-羟基-2,2,5,5-四甲基-1H-吡咯-3-基)甲基)-3,5-二((4-氟苯基)亚甲基)-哌啶-4-酮 | 1172133-28-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: (3E,5E)-1-((2,5-二氢-1-羟基-2,2,5,5-四甲基-1H-吡咯-3-基)甲基)-3,5-二((4-氟苯基)亚甲基)-哌啶-4-酮
• 中文别名: (3E,5E)-1-[(2,5-二氢-1-羟基-2,2,5,5-四甲基-1H-吡咯-3-基)甲基]-3,5-二[(4-氟苯基)亚甲基]-4-哌啶酮；HO-3867抑制剂；STAT3抑制剂(HO-3867)
• 英文名称: HO-3867
• 英文别名: (3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-1-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]piperidin-4-one
• CAS: 1172133-28-6
• 化学式: C₂₈H₃₀F₂N₂O₂
• 分子量: 464.555
• InChiKey: PWZQFTQMMAIRRM-JFMUQQRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (3E,5E)-1-((2,5-二氢-1-羟基-2,2,5,5-四甲基-1H-吡咯-3-基)甲基)-3,5-二((4-氟苯基)亚甲基)-哌啶-4-酮 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  US8722707

  摘要：

  公开号：

文献信息

• [EN] 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACITIVTY AND USES THEROF<br/>[FR] INHIBITEURS DÉRIVÉS DE 3,5-DIARYLIDÉNYL-N-SUBSTITUÉ-PIPÉRID-4-ONE D'ACTIVITÉ DE LA VOIE STAT3 ET LEURS UTILISATIONS
  申请人：KIAKOS KONSTANTINOS

  公开号：WO2019097080A9

  公开（公告）日：2020-10-15
• Compositions and Methods for Inhibition of Cancers
  申请人：Kuppusamy Periannan

  公开号：US20120316203A1

  公开（公告）日：2012-12-13

  Methods and compositions for treating cancers, including ovarian cancers, are described. The compositions generally include a redox based curcumin derivative, diarylidenylpiperiden-4-one (DAP) having a hydroxylamine moiety attached thereto.
• 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACTIVITY AND USES THEREOF
  申请人：Kiakos Konstantinos

  公开号：US20200399220A1

  公开（公告）日：2020-12-24

  3,5-Diarylidenyl-N-substituted-piperid-4-one analogs, and pharmaceutically acceptable derivatives thereof, are useful in the treatment or prevention of disorders including cancer, autoimmune disorders, inflammatory disorders, and fibrotic disorders. The compounds are included in pharmaceutical compositions, and are useful for treating disorders, such as cancer associated with aberrant Stat3 pathway activity. The compositions further include another therapeutic agent, such as an anticancer drug. Such compounds or compositions thereof are used to treat resistant and/or metastatic cancers. Methods also inhibit Stat3 pathway activity in a cell. Other methods are useful for making the pharmaceutical compounds. Synthetic methods are also useful for making the compounds. The compounds and compositions are useful as a fluorescent probe.
• SYNERGISTIC DRUG COMBINATIONS PREDICTED FROM GENOMIC FEATURES AND SINGLE-AGENT RESPONSE PROFILES
  申请人：THE BROAD INSTITUTE, INC.

  公开号：US20210069230A1

  公开（公告）日：2021-03-11

  The present disclosure relates to discovery of specific synergistic drug combinations and mechanisms of drug resistance. Compositions involving newly-identified drug combinations as well as diagnostic and therapeutic methods related to such discoveries are provided.
• US8722707B1
  申请人：——

  公开号：US8722707B1

  公开（公告）日：2014-05-13