7-(4-butyryloxy-2-methoxyphenyl)-8-(5-fluoro-2-methylphenoxymethyl)-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one | 949890-00-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 7-(4-butyryloxy-2-methoxyphenyl)-8-(5-fluoro-2-methylphenoxymethyl)-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one
• 英文别名: [4-[5-[(5-fluoro-2-methylphenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]-3-methoxyphenyl] butanoate
• CAS: 949890-00-0
• 化学式: C₃₀H₃₃FN₂O₅
• 分子量: 520.601
• InChiKey: XDEIRWQJFDDSHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  77.1
• 氢给体数：
  1
• 氢受体数：
  7

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 、 丁酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以92%的产率得到7-(4-butyryloxy-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 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。
• [4-(1, 3, 3-TRIMETHYL-2-OXO-3, 4-DIHYDRO-1H-QUINOXALIN-7-YL) PHENOXY]ETHYLOXY COMPOUND OR SALT THEREOF
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：EP3342768A1

  公开（公告）日：2018-07-04

  The present invention relates to a novel [4-(1,3,3-trimethyl-2-oxo-3,4-dihydro-1H-quinoxalin-7-yl)phenoxy]ethyloxy compound or a salt thereof. The compound or a salt thereof of the present invention has a glucocorticoid receptor agonist activity, and is useful as a medicine, in particular as a prophylactic or therapeutic agent for the glucocorticoid receptor related disease.

  本发明涉及一种新型[4-(1,3,3-三甲基-2-氧代-3,4-二氢-1H-喹喔啉-7-基)苯氧基]乙氧基化合物或其盐。本发明的化合物或其盐具有糖皮质激素受体激动剂活性，可用作药物，特别是糖皮质激素受体相关疾病的预防或治疗药物。