8-(5-fluoro-2-methylphenoxymethyl)-7-[2-methoxy-4-(4-methylbenzylsulfonyloxy)phenyl]-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one | 1089679-65-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 8-(5-fluoro-2-methylphenoxymethyl)-7-[2-methoxy-4-(4-methylbenzylsulfonyloxy)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] (4-methylphenyl)methanesulfonate
• CAS: 1089679-65-1
• 化学式: C₃₄H₃₅FN₂O₆S
• 分子量: 618.726
• InChiKey: ZYIVUUWXZYQVMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  44
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• GLUCOCORTICOID RECEPTOR AGONIST COMPRISING NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE CONTAINING PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS SUBSTITUENT
  申请人：Santen Pharmaceutical Co., Ltd

  公开号：EP2327699A1

  公开（公告）日：2011-06-01

  The object aims to find a novel pharmacological activity of a novel 1,2,3,4-tetrahydroquinoxaline derivative which contains, as a substituent, a phenyl group having a sulfonic acid ester structure introduced therein. A compound represented by general formula (1) or a salt thereof is useful as a glucocorticoid receptor agonist, particularly as a therapeutic agent for diseases against which a glucocorticoid receptor agonist (e.g., a steroid) is believed to be effective, such as inflammatory bone/joint diseases, inflammatory ophthalmic diseases (inflammatory ophthalmic diseases in the anterior or posterior segment of an eye). R1 represents a group represented by general formula (2a), (3a), (4a) or (5a); R2 represents a lower alkyl group which may have a substituent, a lower cycloalkyl group which may have a substituent, or the like; R3 represents a lower alkyl group; R4, R5, R6 or R7 represent a halogen atom, a lower alkyl group which may have a substituent, a hydroxy group, a lower alkoxy group which may have a substituent, or the like; and m, n, p or q represents a number of 0, 1 or 2.

  该对象旨在发现一种新型的药理活性，该活性来自一种新型的1,2,3,4-四氢喹喔啉衍生物，其中含有一个苯基，其上引入了磺酸酯结构。通式（1）表示的化合物或其盐可用作糖皮质激素受体激动剂，特别是作为治疗剂，用于一些被认为对糖皮质激素受体激动剂（例如类固醇）有效的疾病，例如炎症性骨关节疾病，炎症性眼科疾病（眼睛前段或后段的炎症性眼科疾病）。其中，R1表示通式（2a）、（3a）、（4a）或（5a）表示的基团；R2表示可能有取代基的较低烷基基团、可能有取代基的较低环烷基基团等；R3表示较低烷基基团；R4、R5、R6或R7表示卤素原子、可能有取代基的较低烷基基团、羟基、可能有取代基的较低烷氧基团等；m、n、p或q表示0、1或2的数字。
• GLUCOCORTICOID RECEPTOR AGONIST COMPRISING 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVES CONTAINING PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS SUBSTITUENT
  申请人：Kato Masatomo

  公开号：US20110166151A1

  公开（公告）日：2011-07-07

  The object aims to find a novel pharmacological activity of a novel 1,2,3,4-tetrahydroquinoxaline derivative which contains, as a substituent, a phenyl group having a sulfonic acid ester structure introduced therein. A compound represented by general formula (1) or a salt thereof is useful as a glucocorticoid receptor agonist, particularly as a therapeutic agent for diseases against which a glucocorticoid receptor agonist (e.g., a steroid) is believed to be effective, such as inflammatory bone/joint diseases, inflammatory ophthalmic diseases (inflammatory ophthalmic diseases in the anterior or posterior segment of an eye). R 1 represents a group represented by general formula (2a), (3a), (4a) or (5a); R 2 represents a lower alkyl group which may have a substituent, a lower cycloalkyl group which may have a substituent, or the like; R 3 represents a lower alkyl group; R 4 , R 5 , R 6 or R 7 represent a halogen atom, a lower alkyl group which may have a substituent, a hydroxy group, a lower alkoxy group which may have a substituent, or the like; and m, n, p or q represents a number of 0, 1 or 2.

  该对象旨在发现一种新的药理活性，该药理活性是一种含有苯基磺酸酯结构取代基的新型1,2,3,4-四氢喹喔啉衍生物。由通式（1）或其盐所表示的化合物可用作糖皮质激素受体激动剂，特别是用作糖皮质激素受体激动剂（例如类固醇）被认为对其有效的疾病的治疗剂，如炎症性骨关节疾病，炎症性眼病（眼部前后段的炎症性眼病）。其中，R1表示由通式（2a），（3a），（4a）或（5a）表示的基团；R2表示可以具有取代基的较低烷基基团，可以具有取代基的较低环烷基团或类似基团；R3表示较低烷基基团；R4，R5，R6或R7表示卤素原子，可以具有取代基的较低烷基基团，羟基，可以具有取代基的较低烷氧基或类似基团；m，n，p或q表示0,1或2的数字。
• 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。
• METHOD FOR TREATING AN INFLAMMATORY DISEASE BY ADMINISTERING A 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUND CONTAINING A PHENYL GROUP HAVING A SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS A SUBSTITUENT
  申请人：SANTEN PHARMACEUTICAL CO., LTD.

  公开号：US20140045842A1

  公开（公告）日：2014-02-13

  A method for treating a non-ocular inflammatory disease comprising administering to a patient in need thereof a therapeutically effective amount of a compound represented by the following formula (1) or a salt thereof: R 1 represents: R 2 represents a lower alkyl group, a lower cycloalkyl group or an aralkyl group; R 3 represents a lower alkyl group; R 4 , R 5 , R 6 or R 7 each represents a halogen atom, a lower alkyl group, a hydroxyl group, a lower alkoxy group, a cyano group or a nitro group; m, n, p or q each represents 0, 1 or 2; in the case where m, n, p or q is 2, each of R 4 , R 5 , R 6 or R 7 is the same or different.

  一种治疗非眼部炎症性疾病的方法，包括向需要治疗的患者投与以下式（1）所表示的化合物或其盐的治疗有效量： 其中，R1代表： R2代表较低的烷基、较低的环烷基或芳基烷基； R3代表较低的烷基； R4、R5、R6或R7中的每一个代表卤素原子、较低的烷基、羟基、较低的烷氧基、氰基或硝基； m、n、p或q中的每一个代表0、1或2； 在m、n、p或q为2的情况下，R4、R5、R6或R7中的每一个相同或不同。
• COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN
  申请人：Ward Keith W.

  公开号：US20120316199A1

  公开（公告）日：2012-12-13

  A composition for treating, controlling, reducing, or ameliorating inflammatory pain comprises a dissociated glucocorticoid receptor agonist (“DIGRA”), a prodrug thereof, a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable ester thereof. The composition can comprise an additional anti-inflammatory agent and can be formulated for topical application, injection, or implantation. It may be used in a method of managing post-surgical ocular pain such that it has lower risk of eliciting adverse side effects seen with other therapeutic agents.

  用于治疗、控制、减轻或改善炎症性疼痛的组合物包括解离型糖皮质激素受体激动剂（“DIGRA”）、其前药、其药学上可接受的盐或其药学上可接受的酯。该组合物可以包含额外的抗炎药物，并可制成局部应用、注射或植入剂。它可以用于管理术后眼部疼痛的方法，从而降低与其他治疗剂产生的不良副作用风险。