8-(5-fluoro-2-methylphenoxymethyl)-7-(2-methoxy-4-(2-methylphenylsulfonyloxy)phenyl)-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one | 1089679-56-0

• 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: 8-(5-fluoro-2-methylphenoxymethyl)-7-(2-methoxy-4-(2-methylphenylsulfonyloxy)phenyl)-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] 2-methylbenzenesulfonate
• CAS: 1089679-56-0
• 化学式: C₃₃H₃₃FN₂O₆S
• 分子量: 604.699
• InChiKey: DFSCPXUVABAXBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• 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
  申请人：Matsuda Mamoru

  公开号：US20100137307A1

  公开（公告）日：2010-06-03

  The compounds represented in general formula (1) or a salt thereof are useful for glucocorticoid receptor modulators. In the formula, R 1 represents a lower alkyl group, a lower cycloalkyl group, an aryl group and the like; R 2 represents a hydrogen atom, a lower alkyl group and the like; R 3 represents a hydrogen atom, a lower alkyl group and the like; R 4 and R 5 represent a hydrogen atom, a lower alkyl group and the like; R 6 represents a hydrogen atom, a lower alkyl group and the like; R 7 represents a hydrogen atom, a lower alkyl group, a lower alkenyl group and the like; W represents an oxygen atom, a sulfur atom, NR 8 and the like; R 8 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, NR 9 , OCO or OSO 2 ; R 9 represents a hydrogen atom, a lower alkyl group and the like respectively.

  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。
• 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：EP2151436A1

  公开（公告）日：2010-02-10

  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）所代表的化合物或其盐可用作糖皮质激素受体调节剂。式中，R1 代表低级烷基、低级环烷基、芳基等；R2 代表氢原子、低级烷基等；R3 代表氢原子、低级烷基等；R4 和 R5 代表氢原子、低级烷基等；R6 代表氢原子、低级烷基等；R7 代表氢原子、低级烷基、低级烯基等； W 代表氧原子、硫原子、NR8 等； R8 代表氢原子、低级烷基等； X 代表氧原子或硫原子； Y 代表低级亚烷基等； Z 代表氧原子、硫原子、NR9、OCO 或 OSO2； R9 分别代表氢原子、低级烷基等。
• METHODS FOR PREVENTING OR TREATING METABOLIC DISEASES, INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, ALLERGIC DISEASES, CENTRAL NERVOUS SYSTEM DISEASES, CARDIOVASCULAR DISEASES, HOMEOSTASIS-RELATED DISEASES OR GLAUCOMA
  申请人：Matsuda Mamoru

  公开号：US20120129866A1

  公开（公告）日：2012-05-24

  A method for preventing or treating a metabolic disorder, an inflammatory disease, an autoimmune disease, an allergic disease, a central nervous system disease, a cardiovascular disease, a homeostasis-related disease or glaucoma, involving administering a compound or a salt thereof, the compound having the following formula (1) wherein R 1 represents alkyl, cycloalkyl, aryl, heterocyclic or aralkyl; R 7 represents cycloalkyl, aryl or heterocyclic; W represents oxygen or NR 8 , Y represents alkylene, Z represents oxygen, sulfur, OCO or NR 9 ; R 2 , R 3 , R 4 , R 6 , R 8 and R 9 represent hydrogen or alkyl.
• US8193187B2
  申请人：——

  公开号：US8193187B2

  公开（公告）日：2012-06-05
• US8569493B2
  申请人：——

  公开号：US8569493B2

  公开（公告）日：2013-10-29