7-[2-methoxy-4-(2-methylbenzoyloxy)phenyl]-8-(5-methylthiophen-2-ylcarbonyloxymethyl)-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one | 949890-45-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 7-[2-methoxy-4-(2-methylbenzoyloxy)phenyl]-8-(5-methylthiophen-2-ylcarbonyloxymethyl)-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one
• 英文别名: [6-[2-methoxy-4-(2-methylbenzoyl)oxyphenyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-5-yl]methyl 5-methylthiophene-2-carboxylate
• CAS: 949890-45-3
• 化学式: C₃₃H₃₂N₂O₆S
• 分子量: 584.693
• InChiKey: PVBIBWBHPGJDCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  8

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。
• 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
• US8551991B2
  申请人：——

  公开号：US8551991B2

  公开（公告）日：2013-10-08
• US8975256B2
  申请人：——

  公开号：US8975256B2

  公开（公告）日：2015-03-10