6-[2-Methoxy-4-(pyridin-3-ylaminocarbonyloxy)phenyl]-5-(5-methylthiophen-2-ylcarbonyloxymethyl)-2,2,4-trimethyl-1,2-dihydroquinoline | 1026992-50-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-[2-Methoxy-4-(pyridin-3-ylaminocarbonyloxy)phenyl]-5-(5-methylthiophen-2-ylcarbonyloxymethyl)-2,2,4-trimethyl-1,2-dihydroquinoline
• 英文别名: [6-[2-methoxy-4-(pyridin-3-ylcarbamoyloxy)phenyl]-2,2,4-trimethyl-1H-quinolin-5-yl]methyl 5-methylthiophene-2-carboxylate
• CAS: 1026992-50-6
• 化学式: C₃₂H₃₁N₃O₅S
• 分子量: 569.681
• InChiKey: ZACBOXBDHPFNAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  41
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6-(4-hydroxy-2-methoxyphenyl)-5-(5-methylthiophen-2-ylcarbonyloxymethyl)-2,2,4-trimethyl-1,2-dihydroquinoline 、 3-异氰酸吡啶 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以57%的产率得到6-[2-Methoxy-4-(pyridin-3-ylaminocarbonyloxy)phenyl]-5-(5-methylthiophen-2-ylcarbonyloxymethyl)-2,2,4-trimethyl-1,2-dihydroquinoline
  参考文献：
  名称：

  NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING (SUBSTITUTED PHENYL OR SUBSTITUTED HETEROCYCLIC) CARBONYLOXY LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS

  摘要：

  通用公式（1）中代表的化合物及其盐对糖皮质激素受体调节剂非常有用。其中，R1代表氢原子或较低的烷基基团；R2代表氢原子或较低的烷基基团；R3和R4可以相同也可以不同，代表氢原子或较低的烷基基团；R5代表氢原子或较低的烷基基团；R6代表卤素原子、较低的烷基基团、羟基、较低的烷氧基、硝基或氰基；X代表—C(O)—、—C(O)NR8—、—S(O)2—等；R7和/或R8可以相同也可以不同，代表氢原子、可能具有取代基团的较低烷基基团、可能具有取代基团的芳基、可能具有取代基团的杂环基团、可能具有取代基团的较低烷氧基团等；Y代表较低的烷基烯基团；Z代表苯环或杂环环；P代表0、1、2或3。

  公开号：

  US20090298826A1

文献信息

• 1,2-dihydroquinoline derivative having (substituted phenyl or substituted heterocyclic) carbonyloxy lower alkyl group and ester-introduced phenyl group as substituents
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：US08008497B2

  公开（公告）日：2011-08-30

  The compounds represented in general formula (1) and a salt thereof are useful for glucocorticoid receptor modulator. The R1 represents a hydrogen atom or a lower alkyl group; R2 represents a hydrogen atom or a lower alkyl group; R3 and R4 may be the same or different and represent a hydrogen atom or a lower alkyl group; R5 represents a hydrogen atom or a lower alkyl group; R6 represents a halogen atom, a lower alkyl group, a hydroxy group, a lower alkoxy group, a nitro group or a cyano group; X represents —C(O)—, —C(O)NR8—, —S(O)2— and the like; R7 and/or R8 may be the same or different and represent a hydrogen atom, a lower alkyl group which may have a substituent, an aryl group which may have a substituent, a heterocyclic group which may have a substituent, a lower alkoxy group which may have a substituent and the like; Y represents a lower alkylene group; Z represents a benzene ring or a heterocyclic ring; and P represents 0, 1, 2 or 3.

  通式（1）所代表的化合物及其盐对于糖皮质激素受体调节剂非常有用。其中，R1代表氢原子或较低的烷基；R2代表氢原子或较低的烷基；R3和R4可以相同也可以不同，代表氢原子或较低的烷基；R5代表氢原子或较低的烷基；R6代表卤原子、较低的烷基、羟基、较低的烷氧基、硝基或氰基；X代表-C（O）-、-C（O）NR8-、-S（O）2-等；R7和/或R8可以相同也可以不同，代表氢原子、较低的烷基（可能有取代基）、芳基（可能有取代基）、杂环基（可能有取代基）、较低的烷氧基（可能有取代基）等；Y代表较低的烷基；Z代表苯环或杂环环；P代表0、1、2或3。
• GLUCOCORTICOID RECEPTOR AGONIST COMPRISING 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING SUBSTITUTED OXY GROUP
  申请人：Kato Masatomo

  公开号：US20110118260A1

  公开（公告）日：2011-05-19

  The present invention is related to glucocorticoid receptor agonists comprised of a compound represented by formula (1) which is 2,2,4-trimethyl-6-phenyl-1,2-dihydroquinoline derivative or a salt thereof and novel pharmacological effects of the glucocorticoid receptor agonists. In the formula (1), R 1 represents formula (2a), (3a), (4a) or (5a); R 2 represents —(CO)—R8, —(CO)O—R9, or the like; R 2 —O— is substituted at the 4- or -5-position of benzene ring A; R 3 represents a lower alkyl group; R 4 , R 5 , R 6 or R 7 represents a halogen atom, a lower alkyl group which may have a substituent, or the like; m, n, p or q represents 0, 1 or the like; R 8 , R 9 or the like represents a lower alkyl group which may have a substituent, a lower alkenyl group, or the like.

  本发明涉及由式（1）表示的化合物组成的糖皮质激素受体激动剂或其盐，并且涉及糖皮质激素受体激动剂的新的药理作用。在式（1）中，R1表示式（2a）、（3a）、（4a）或（5a）；R2表示—（CO）—R8、—（CO）O—R9或类似物；R2—O—在苯环A的4-或5-位上被取代；R3表示较低的烷基；R4、R5、R6或R7表示卤原子、可能具有取代基的较低的烷基或类似物；m、n、p或q表示0、1或类似物；R8、R9或类似物表示可能具有取代基的较低的烷基、较低的烯基或类似物。
• Method for preventing or treating a disease related to the glucocorticoid receptor
  申请人：Matsuda Mamoru

  公开号：US20110263600A1

  公开（公告）日：2011-10-27

  A method for preventing or treating a disease related to the glucocorticoid receptor involving administering a pharmacologically effective amount of a 1,2-dihydroquinoline compound or a pharmaceutically acceptable salt thereof.

  一种预防或治疗与糖皮质激素受体有关的疾病的方法，包括给予一种药理学有效量的1,2-二氢喹啉化合物或其药学上可接受的盐。
• GLUCOCORTICOID RECEPTOR AGONIST COMPOSED OF 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED OXY GROUP
  申请人：AYUMI Pharmaceutical Corporation

  公开号：EP2319835B1

  公开（公告）日：2016-04-13
• 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING (SUBSTITUTED PHENYL OR SUBSTITUTED HETEROCYCLIC) CARBONYLOXY LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS
  申请人：Santen Pharmaceutical Co., Ltd

  公开号：EP2085389B1

  公开（公告）日：2012-09-26