6-苯甲酰基-4H-1,4-苯并恶嗪-3-酮 | 26518-73-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 6-苯甲酰基-4H-1,4-苯并恶嗪-3-酮
• 英文名称: 6-benzoyl-benzoxazin-3-one
• 英文别名: 6-benzoyl-4H-benzo[1,4]oxazin-3-one；6-Benzoyl-2H-1,4-benzoxazin-3(4H)-one；6-benzoyl-4H-1,4-benzoxazin-3-one
• CAS: 26518-73-0
• 化学式: C₁₅H₁₁NO₃
• 分子量: 253.257
• InChiKey: LGAJFKNJKYPWFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-苯甲酰基-4H-1,4-苯并恶嗪-3-酮 在 吡啶 、 甲氧基胺盐酸盐 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 ethyl 2-ethoxy-3-[4-(2-{6-[(methoxyimino)(phenyl)methyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethoxy)phenyl]propanoate
  参考文献：
  名称：

  Heterocyclic Oxime Compounds, A Process For Their Preparation And Pharmaceutical Compositions Containing Them.

  摘要：

  化合物式（I）：其中：X代表氧原子或硫原子，R1、R2、R3和R4如描述中所定义，A代表如描述中所定义的烷基链，B代表被基团或R7取代的烷基或烯基，或B代表基团或R7。

  公开号：

  US20080113974A1
• 作为产物：
  描述：

  2H-1,4-苯并噁嗪-3(4H)-酮 、 苯甲酸 在 PPA 作用下， 反应 6.0h， 生成 6-苯甲酰基-4H-1,4-苯并恶嗪-3-酮
  参考文献：
  名称：

  Heterocyclic Oxime Compounds, A Process For Their Preparation And Pharmaceutical Compositions Containing Them.

  摘要：

  化合物式（I）：其中：X代表氧原子或硫原子，R1、R2、R3和R4如描述中所定义，A代表如描述中所定义的烷基链，B代表被基团或R7取代的烷基或烯基，或B代表基团或R7。

  公开号：

  US20080113974A1

文献信息

• Aromatase inhibitor compounds and uses thereof
  申请人：Park Chang-Ha

  公开号：US20070054899A1

  公开（公告）日：2007-03-08

  The invention concerns the use of a compound of formula (I) inhibitor of aromatase for the preparation of a pharmaceutical formulation intended for treatment of cancer or psoriasis. It equally relates to compounds of formula (I), notably for their use as active ingredients of a medication.

  该发明涉及使用式(I)的化合物作为芳香化酶抑制剂，用于制备用于治疗癌症或牛皮癣的药物配方。同时，它还涉及到式(I)的化合物，特别是它们作为药物的活性成分的用途。
• Effect of 6-Benzoyl-benzothiazol-2-one scaffold on the pharmacological profile of α-alkoxyphenylpropionic acid derived PPAR agonists
  作者：Aurélie Hurtevent、Morgan Le Naour、Veronique Leclerc、Pascal Carato、Patricia Melnyk、Nathalie Hennuyer、Bart Staels、Monique Beucher-Gaudin、Daniel-Henri Caignard、Catherine Dacquet、Nicolas Lebegue

  DOI：10.1080/14756366.2020.1713771

  日期：2020.1.1

  A series of nitrogen heterocycles containing alpha-ethoxyphenylpropionic acid derivatives were designed as dual PPAR alpha/gamma agonist ligands for the treatment of type 2 diabetes (T2D) and its complications. 6-Benzoyl-benzothiazol-2-one was the most tolerant of the tested heterocycles in which incorporation of O-methyl oxime ether and trifluoroethoxy group followed by enantiomeric resolution led to the (S)-stereoisomer 44 b displaying the best in vitro pharmacological profile. Compound 44 b acted as a very potent full PPAR gamma agonist and a weak partial agonist on the PPAR alpha receptor subtype. Compound 44 b showed high efficacy in an ob/ob mice model with significant decreases in serum triglyceride, glucose and insulin levels but mostly with limited body-weight gain and could be considered as a selective PPAR gamma modulator (SPPAR gamma M).
• NOUVEAUX DERIVES D'OXIMES HETEROCYCLIQUES, LEUR PROCEDE DE PREPARATION ET LEUR UTILISATION COMME AGENTS HYPOGLYCEMIANTS ET HYPOLIPEMIANTS
  申请人：Les Laboratoires Servier

  公开号：EP1844029B1

  公开（公告）日：2008-11-12
• Heterocyclic Oxime Compounds, A Process For Their Preparation And Pharmaceutical Compositions Containing Them.
  申请人：Hurtevent Aurelie

  公开号：US20080113974A1

  公开（公告）日：2008-05-15

  Compounds of formula (I): wherein: X represents an oxygen atom or a sulphur atom, R 1 , R 2 , R 3 and R 4 are as defined in the description, A represents an alkylene chain as defined in the description, and B represents an alkyl or alkenyl group substituted by a group or R 7 , or B represents a group or R 7 .

  化合物式（I）：其中：X代表氧原子或硫原子，R1、R2、R3和R4如描述中所定义，A代表如描述中所定义的烷基链，B代表被基团或R7取代的烷基或烯基，或B代表基团或R7。