8-(5-Fluoro-2-methylphenoxymethyl)-7-[2-methoxy-4-(3-methoxycarbonylbenzoyloxy)phenyl]-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one | 949890-62-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 8-(5-Fluoro-2-methylphenoxymethyl)-7-[2-methoxy-4-(3-methoxycarbonylbenzoyloxy)phenyl]-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one
• 英文别名: 3-O-[4-[5-[(5-fluoro-2-methylphenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]-3-methoxyphenyl] 1-O-methyl benzene-1,3-dicarboxylate
• CAS: 949890-62-4
• 化学式: C₃₅H₃₃FN₂O₇
• 分子量: 612.655
• InChiKey: ZYHIFVAKCXZECO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  45
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  8-(5-fluoro-2-methylphenoxymethyl)-7-(4-hydroxy-2-methoxyphenyl)-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one 、 间苯二甲酸单甲酯 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 N,N-二甲基甲酰胺 为溶剂， 以64%的产率得到8-(5-Fluoro-2-methylphenoxymethyl)-7-[2-methoxy-4-(3-methoxycarbonylbenzoyloxy)phenyl]-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one
  参考文献：
  名称：

  NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY

  摘要：

  公开号：

  EP1995242B1

文献信息

• Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity
  申请人：Matsuda Mamoru

  公开号：US20090111807A1

  公开（公告）日：2009-04-30

  An object of the present invention is to synthesize a novel 1,2,3,4-tetrahydroquinoxaline derivative represented by formula (1) and to find a pharmacological action of the derivative. In the formula, the R 1 represents a halogen, an alkyl, cycloalkyl, aryl or heterocyclic group, or the like; p represents 0 to 5; R 2 represents a halogen, an alkyl, hydroxyl or alkoxy group, or the like; q represents 0 to 2; R 3 represents hydrogen, an alkyl, alkenyl, alkylcarbonyl or arylcarbonyl group, or the like; R 4 and R 5 independently represent hydrogen, a halogen, an alkyl, alkenyl, alkynyl, cycloalkyl, aryl or heterocyclic group, or the like; R 6 represents hydrogen, an alkyl, alkenyl, alkynyl, cycloalkyl, aryl or heterocyclic group, or the like; A represents an alkylene; R 7 represents OR 8 , NR 8 R 9 , SR 8 , S(O)R 8 , S(O) 2 R 8 ; and X represents O or S.

  本发明的目的是合成一种新的1,2,3,4-四氢喹喔啉衍生物，其化学式表示为（1），并找到该衍生物的药理作用。其中，R1代表卤素、烷基、环烷基、芳基或杂环基等；p表示0至5；R2代表卤素、烷基、羟基或烷氧基等；q表示0至2；R3代表氢、烷基、烯基、烷基羰基或芳基羰基等；R4和R5独立地表示氢、卤素、烷基、烯基、炔基、环烷基、芳基或杂环基等；R6代表氢、烷基、烯基、炔基、环烷基、芳基或杂环基等；A代表烷基；R7代表OR8、NR8R9、SR8、S（O）R8、S（O）2R8；X代表O或S。
• 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUNDS HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY
  申请人：SANTEN PHARMACEUTICAL CO., LTD.

  公开号：US20130303537A1

  公开（公告）日：2013-11-14

  A 1,2,3,4-tetrahydroquinoxaline compound represented by the following formula: In the formula (1), R 1 represents substituents such as a halogen, an alkyl, a cycloalkyl, an aryl or a heterocyclic group; p represents 0 to 5; R 2 represents substituents such as a halogen, an alkyl, a hydroxyl or an alkoxy group; q represents 0 to 2; R 3 represents substituents such as hydrogen, an alkyl, an alkenyl, an alkylcarbonyl or an arylcarbonyl group; R 4 and R 5 independently represent substituents such as hydrogen, a halogen, an alkyl, an alkenyl, an alkynyl, a cycloalkyl, an aryl or a heterocyclic group; R 6 represents substituents such as hydrogen, an alkyl, an alkenyl, an alkynyl, a cycloalkyl, an aryl or a heterocyclic group; A represents an alkylene; R 7 represents OR 8 , NR 8 R 9 , SR 8 , S(O)R 8 , S(O) 2 R 8 ; R 8 and R 9 independently represent substituents such as hydrogen, an alkyl or an alkenyl; and X represents O or S.

  以下是由下式表示的1,2,3,4-四氢喹喔啉化合物：在式（1）中，R1表示卤素，烷基，环烷基，芳基或杂环基等取代基；p表示0至5；R2表示卤素，烷基，羟基或烷氧基等取代基；q表示0至2；R3表示氢，烷基，烯基，烷基羰基或芳基羰基等取代基；R4和R5独立地表示氢，卤素，烷基，烯基，炔基，环烷基，芳基或杂环基等取代基；R6表示氢，烷基，烯基，炔基，环烷基，芳基或杂环基等取代基；A表示烷基；R7表示OR8，NR8R9，SR8，S（O）R8，S（O）2R8；R8和R9独立地表示氢，烷基或烯基等取代基；X表示O或S。
• 1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：US08975256B2

  公开（公告）日：2015-03-10

  A 1,2,3,4-tetrahydroquinoxaline compound represented by the following formula: In the formula (1), R1 represents substituents such as a halogen, an alkyl, a cycloalkyl, an aryl or a heterocyclic group; p represents 0 to 5; R2 represents substituents such as a halogen, an alkyl, a hydroxyl or an alkoxy group; q represents 0 to 2; R3 represents substituents such as hydrogen, an alkyl, an alkenyl, an alkylcarbonyl or an arylcarbonyl group; R4 and R5 independently represent substituents such as hydrogen, a halogen, an alkyl, an alkenyl, an alkynyl, a cycloalkyl, an aryl or a heterocyclic group; R6 represents substituents such as hydrogen, an alkyl, an alkenyl, an alkynyl, a cycloalkyl, an aryl or a heterocyclic group; A represents an alkylene; R7 represents OR8, NR8R9, SR8, S(O)R8, S(O)2R8; R8 and R9 independently represent substituents such as hydrogen, an alkyl or an alkenyl; and X represents O or S.

  以下是由下式表示的1,2,3,4-四氢喹诺啉化合物：在式（1）中，R1代表卤素，烷基，环烷基，芳基或杂环基等取代基; p代表0到5; R2代表卤素，烷基，羟基或烷氧基等取代基; q代表0到2; R3代表氢，烷基，烯基，烷基羰基或芳基羰基等取代基; R4和R5独立地表示氢，卤素，烷基，烯基，炔基，环烷基，芳基或杂环基等取代基; R6代表氢，烷基，烯基，炔基，环烷基，芳基或杂环基等取代基; A代表烷基; R7代表OR8，NR8R9，SR8，S（O）R8，S（O）2R8; R8和R9独立地表示氢，烷基或烯基等取代基; X代表O或S。
• 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity
  申请人：Matsuda Mamoru

  公开号：US08551991B2

  公开（公告）日：2013-10-08

  An object of the present invention is to synthesize a novel 1,2,3,4-tetrahydroquinoxaline derivative represented by formula (1) and to find a pharmacological action of the derivative. In the formula, the R1 represents a halogen, an alkyl, cycloalkyl, aryl or heterocyclic group, or the like; p represents 0 to 5; R2 represents a halogen, an alkyl, hydroxyl or alkoxy group, or the like; q represents 0 to 2; R3 represents hydrogen, an alkyl, alkenyl, alkylcarbonyl or arylcarbonyl group, or the like; R4 and R5 independently represent hydrogen, a halogen, an alkyl, alkenyl, alkynyl, cycloalkyl, aryl or heterocyclic group, or the like; R6 represents hydrogen, an alkyl, alkenyl, alkynyl, cycloalkyl, aryl or heterocyclic group, or the like; A represents an alkylene; R7 represents OR8, NR8R9, SR8, S(O)R8, S(O)2R8; and X represents O or S.

  本发明的目的是合成一种新型的1,2,3,4-四氢喹喔啉衍生物，其化学式表示为(1)，并找到该衍生物的药理作用。其中，R1表示卤素、烷基、环烷基、芳基或杂环基等；p表示0到5；R2表示卤素、烷基、羟基或烷氧基等；q表示0到2；R3表示氢、烷基、烯基、烷基羰基或芳基羰基等；R4和R5分别表示氢、卤素、烷基、烯基、炔基、环烷基、芳基或杂环基等；R6表示氢、烷基、烯基、炔基、环烷基、芳基或杂环基等；A表示烷基；R7表示OR8、NR8R9、SR8、S(O)R8、S(O)2R8；X表示O或S。
• EP1995242A1
  申请人：——

  公开号：EP1995242A1

  公开（公告）日：2008-11-26