1-(2,3-difluoro-6-hydroxyphenyl)ethan-1-one | 921609-31-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,3-difluoro-6-hydroxyphenyl)ethan-1-one
• 英文别名: 1-(2,3-Difluoro-6-hydroxyphenyl)ethan-1-one；1-(2,3-difluoro-6-hydroxyphenyl)ethanone
• CAS: 921609-31-6
• 化学式: C₈H₆F₂O₂
• 分子量: 172.131
• InChiKey: XHVFNKVLITZGMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2,3-difluoro-6-hydroxyphenyl)ethan-1-one 在 吡啶 、 盐酸羟胺 、 双氧水 、 sodium acetate 、 potassium carbonate 、 氯化铵 、 sodium hydroxide 、 锌 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 反应 14.0h， 生成 3-(3-(1-(4,5-difluoro-3-methylbenzofuran-2-yl)-2-methylpropyl)ureido)benzamide
  参考文献：
  名称：

  [EN] UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER
  [FR] DÉRIVÉS D'URÉE POUVANT ÊTRE UTILISÉS POUR TRAITER LE CANCER

  摘要：

  This disclosure provides compounds of Formula (I), Formula (II), and pharmaceutically acceptable salts thereof, that inhibit phosphatidylinositol 4,5-bisphosphate 3-kinase (PI3K) isoform alpha (PI3Ka). These chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) PI3Ka activation contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also provides compositions containing the same as well as methods of using and making the same.

  公开号：

  WO2022265993A1
• 作为产物：
  描述：

  5,6-二氟水杨酸 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 1-(2,3-difluoro-6-hydroxyphenyl)ethan-1-one
  参考文献：
  名称：

  [EN] UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER
  [FR] DÉRIVÉS D'URÉE POUVANT ÊTRE UTILISÉS POUR TRAITER LE CANCER

  摘要：

  This disclosure provides compounds of Formula (I), Formula (II), and pharmaceutically acceptable salts thereof, that inhibit phosphatidylinositol 4,5-bisphosphate 3-kinase (PI3K) isoform alpha (PI3Ka). These chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) PI3Ka activation contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also provides compositions containing the same as well as methods of using and making the same.

  公开号：

  WO2022265993A1

文献信息

• 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof
  申请人：Kuhl Alexander

  公开号：US20090214675A1

  公开（公告）日：2009-08-27

  The present application relates to novel 4-chromenonyl-1,4-dihydropyridinecarbonitriles, processes for their preparation, pharmaceutical compositions containing them, and their use for the treatment and/or prophylaxis of diseases, especially cardiovascular disorders.

  本申请涉及新型4-咔唑基-1,4-二氢吡啶基碳腈化合物，其制备方法，含有它们的药物组合物，以及它们用于治疗和/或预防疾病，特别是心血管疾病的用途。
• 4-CHROMENONYL-1,4-DIHYDROPYRIDINCARBONITRILE UND IHRE VERWENDUNG
  申请人：Bayer HealthCare AG

  公开号：EP1926727A1

  公开（公告）日：2008-06-04
• US8058447B2
  申请人：——

  公开号：US8058447B2

  公开（公告）日：2011-11-15
• [DE] 4-CHROMENONYL-1,4-DIHYDROPYRIDINCARBONITRILE UND IHRE VERWENDUNG<br/>[EN] 4-CHROMENONYL-1,4-DIHYDROPYRIDINECARBONITRILES AND THE USE THEREOF<br/>[FR] 4-CHROMENONYL-1,4-DIHYDROPYRIDINCARBONITRILES ET LEUR UTILISATION
  申请人：BAYER HEALTHCARE AG

  公开号：WO2007009670A1

  公开（公告）日：2007-01-25

  [EN] The invention relates to novel 4-chromenonyl-1,4-dihydropyridinecarbonitriles, to a method for the production thereof, to their use for treating and/or preventing diseases, and to their use for producing medicaments for treating and/or preventing diseases, particularly cardiovascular diseases.
  [FR] La présente invention concerne de nouveaux 4-chromenonyl-1,4-dihydropyridincarbonitriles, leur procédé de production, leur utilisation pour traiter et/ou prévenir des maladies ainsi que leur utilisation pour produire des médicaments destinés à traiter et/ou à prévenir des maladies, notamment des maladies cardiovasculaires.
  [DE] Die vorliegende Anmeldung betrifft neue 4-Chromenonyl-1,4-dihydropyridincarbonitrile, Verfahren zu ihrer Herstellung, ihre Verwendung zur Behandlung und/oder Prophylaxe von Krankheiten sowie ihre Verwendung zur Herstellung von Arzneimitteln zur Behandlung und/oder Prophylaxe von Krankheiten, insbesondere von kardiovaskulären Erkrankungen.
• [EN] UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER<br/>[FR] DÉRIVÉS D'URÉE POUVANT ÊTRE UTILISÉS POUR TRAITER LE CANCER
  申请人：[en]SCORPION THERAPEUTICS, INC.

  公开号：WO2022265993A1

  公开（公告）日：2022-12-22

  This disclosure provides compounds of Formula (I), Formula (II), and pharmaceutically acceptable salts thereof, that inhibit phosphatidylinositol 4,5-bisphosphate 3-kinase (PI3K) isoform alpha (PI3Ka). These chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) PI3Ka activation contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also provides compositions containing the same as well as methods of using and making the same.