7-(4-amino-2-methoxyphenyl)-8-(5-fluoro-2-methylphenoxymethyl)-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one | 949889-89-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 7-(4-amino-2-methoxyphenyl)-8-(5-fluoro-2-methylphenoxymethyl)-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one
• 英文别名: 7-(4-amino-2-methoxyphenyl)-8-[(5-fluoro-2-methylphenoxy)methyl]-1,3,3-trimethyl-4H-quinoxalin-2-one
• CAS: 949889-89-8
• 化学式: C₂₆H₂₈FN₃O₃
• 分子量: 449.525
• InChiKey: HADYSGKRMGAARV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  76.8
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  8-(5-fluoro-2-methylphenoxymethyl)-7-(2-methoxy-4-nitrophenyl)-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one 、 、 N,N-二甲基甲酰胺 、 乙醇 在 水 、 Brine 、 magnesium sulfate 、 silica gel 、 ethyl acetate n-hexane 作用下， 以 乙酸乙酯 、 碳酸氢钠 为溶剂， 反应 72.0h， 以to give the titled reference compound (12.1 mg) as a brown solid的产率得到7-(4-amino-2-methoxyphenyl)-8-(5-fluoro-2-methylphenoxymethyl)-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one
  参考文献：
  名称：

  NOVEL 1,2,3,4,-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED TEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY

  摘要：

  一般式（1）或其盐所代表的化合物可用于糖皮质激素受体调节剂。在该式中，R1代表低碳基，低环烷基，芳基等；R2代表氢原子，低碳基等；R3代表氢原子，低碳基等；R4和R5代表氢原子，低碳基等；R6代表氢原子，低碳基等；R7代表氢原子，低碳基，低烯基等；W代表氧原子，硫原子，NR8等；R8代表氢原子，低碳基等；X代表氧原子或硫原子；Y代表低碳基亚烷基等；Z代表氧原子，硫原子，NR9，OCO或OSO2；R9分别代表氢原子，低碳基等。

  公开号：

  US20100137307A1

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 compound with a phenyl group substituent having a sulfonic acid ester structure or a sulfonic acid amide structure introduced therein and having glucocorticoid receptor-binding activity
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：US08193187B2

  公开（公告）日：2012-06-05

  The compounds represented in general formula (1) or a salt thereof are useful for glucocorticoid receptor modulators. In the formula, R1 represents a lower alkyl group, a lower cycloalkyl group, an aryl group and the like; R2 represents a hydrogen atom, a lower alkyl group and the like; R3 represents a hydrogen atom, a lower alkyl group and the like; R4 and R5 represent a hydrogen atom, a lower alkyl group and the like; R6 represents a hydrogen atom, a lower alkyl group and the like; R7 represents a hydrogen atom, a lower alkyl group, a lower alkenyl group and the like; W represents an oxygen atom, a sulfur atom, NR8 and the like; R8 represents a hydrogen atom, a lower alkyl group and the like; X represents an oxygen atom or a sulfur atom; Y represents a lower alkylene group and the like; Z represents an oxygen atom, a sulfur atom, NR9, OCO or OSO2; R9 represents a hydrogen atom, a lower alkyl group and the like respectively.

  通式（1）中表示的化合物或其盐对于糖皮质激素受体调节剂是有用的。在该式中，R1表示较低的烷基，较低的环烷基，芳基等；R2表示氢原子，较低的烷基等；R3表示氢原子，较低的烷基等；R4和R5表示氢原子，较低的烷基等；R6表示氢原子，较低的烷基等；R7表示氢原子，较低的烷基，较低的烯基等；W表示氧原子，硫原子，NR8等；R8表示氢原子，较低的烷基等；X表示氧原子或硫原子；Y表示较低的烷基等；Z表示氧原子，硫原子，NR9，OCO或OSO2；R9分别表示氢原子，较低的烷基等。
• 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。
• NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY
  申请人：Santen Pharmaceutical Co., Ltd

  公开号：EP1995242B1

  公开（公告）日：2012-11-07
• NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED THEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY
  申请人：Santen Pharmaceutical Co., Ltd

  公开号：EP2151436B1

  公开（公告）日：2013-04-24