4-[5-[(5-fluoro-2-methylphenoxy)methyl]-1,2-dihydro-2,2,4-trimethyl-6-quinolinyl]-3-methoxyphenyl 2-furancarboxylate | 1027099-03-1

• 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: 4-[5-[(5-fluoro-2-methylphenoxy)methyl]-1,2-dihydro-2,2,4-trimethyl-6-quinolinyl]-3-methoxyphenyl 2-furancarboxylate
• 英文别名: 5-(5-Fluoro-2-methylphenoxymethyl)-6-[4-(furan-2-ylcarbonyl oxy)-2-methoxyphenyl]-2,2,4-trimethyl-1,2-dihydroquinoline；5-(5-fluoro-2-methylphenoxymethyl)-6-[4-(furan-2-ylcarbonyloxy)-2-methoxyphenyl]-2,2,4-trimethyl-1,2-dihydroquinoline；Tomicorat；[4-[5-[(5-fluoro-2-methylphenoxy)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]-3-methoxyphenyl] furan-2-carboxylate
• CAS: 1027099-03-1
• 化学式: C₃₂H₃₀FNO₅
• 分子量: 527.592
• InChiKey: MQHGWZXZNWRXRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  69.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  8-hydroxy-2,2,4-trimethyl-1,2-dihydro-6-oxa-1-azachrysen-5-one 在 盐酸 、 三丁基膦 、 偶氮二甲酸二异丙酯 、 sodium hydride 、 potassium carbonate 、 三乙胺 、 红铝 作用下， 以 四氢呋喃 、 甲醇 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 33.26h， 生成 4-[5-[(5-fluoro-2-methylphenoxy)methyl]-1,2-dihydro-2,2,4-trimethyl-6-quinolinyl]-3-methoxyphenyl 2-furancarboxylate
  参考文献：
  名称：

  EP2805948

  摘要：

  公开号：

文献信息

• Method for preventing or treating a disease related to the glucocorticoid receptor
  申请人：Matsuda Mamoru

  公开号：US20110275620A1

  公开（公告）日：2011-11-10

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

  一种预防或治疗与糖皮质激素受体相关的疾病的方法，涉及给予1,2-羟基喹啉化合物的药理有效剂量。
• 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。
• INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF
  申请人：SANTEN PHARMACEUTICAL CO., LTD.

  公开号：US20140371459A1

  公开（公告）日：2014-12-18

  Provided is a method for producing a compound represented by formula (7) or a salt thereof: the method comprising the steps of: removing a R 1 group and a R 2 group from a compound represented by formula (5) or a salt thereof: and reacting the compound (in which R1 and R2 in formula (5) are hydrogen atoms) obtained in the removing step or a salt thereof with a compound represented by formula (d): or a salt thereof in the presence of a base. The method is a method for producing a 1,2-dihydroquinoline derivative having glucocorticoid receptor binding activity or a salt thereof. This method does not require a purification step by column chromatography and is suitable for industrial production.

  提供了一种生产由式（7）或其盐所表示的化合物的方法：该方法包括以下步骤：从由式（5）或其盐所表示的化合物中去除R1基团和R2基团；并在碱的存在下，将在去除步骤中获得的化合物（其中式（5）中的R1和R2为氢原子）或其盐与由式（d）或其盐所表示的化合物反应。该方法是一种生产具有糖皮质激素受体结合活性的1,2-二氢喹啉衍生物或其盐的方法。该方法不需要经过柱层析纯化步骤，适用于工业生产。
• NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED PHENYLCHALCOGENO LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS
  申请人：Santen Pharmaceutical Co., Ltd

  公开号：EP2085387B1

  公开（公告）日：2013-04-10
• 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