1-[2-(4-Isobutylphenyl)propyl]-4-(3-trifluoromethyl-phenyl)-1,2,3,6-tetrahydropyridine hydrochloride

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-[2-(4-Isobutylphenyl)propyl]-4-(3-trifluoromethyl-phenyl)-1,2,3,6-tetrahydropyridine hydrochloride
• 英文别名: 1-[2-[4-(2-methylpropyl)phenyl]propyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
• 化学式: C₂₅H₃₀F₃N*ClH
• 分子量: 437.976
• InChiKey: OWTUPHCOBJMOJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.22
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  3.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  布洛芬 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 1-[2-(4-Isobutylphenyl)propyl]-4-(3-trifluoromethyl-phenyl)-1,2,3,6-tetrahydropyridine hydrochloride
  参考文献：
  名称：

  4-aryl-1-phenylalkyl-1,2,3,6-tetrahydropyridines having neurotrophic and

  摘要：

  本发明涉及通式(I)的化合物 ##STR1## 其中Y是--CH--或--N--;R1是氢、卤素、CF3、(C3-C4)烷基或(C1-C4)烷氧基;R2是氢、卤素、羟基、CF3、(C3-C4)烷基或(C1-C4)烷氧基;R3和R4各自为氢或(C1-C3)烷基;X是(a)(C3-C6)烷基、(C3-C6)烷氧基、(C3-C7)羧基烷基、(C1-C4)烷氧羰基(C3-C6)烷基、(C3-C7)羧基烷氧基或(C1-C4)烷氧羰基(C3-C6)烷氧基;(b)选自(C3-C7)环烷基、(C3-C7)环烷氧基、(C3-C7)环烷基甲基、(C3-C7)环烷基氨基和环己烯基的基团,该基团可被卤素、羟基、(C1-C4)烷氧基、羧基、(C1-C4)烷氧羰基、氨基或单或二(C1-C4)烷基氨基取代;或(c)选自苯基、苯氧基、苯基氨基、N-(C1-C3)烷基苯基氨基、苯基甲基、苯乙基、苯甲酰基、苯硫基、苯磺酰基、苯亚磺酰基和苯乙烯基的基团,该基团可在苯基上被一个或多个卤素、CF3、(C1-C4)烷基、(C1-C4)烷氧基、氰基、氨基、单或二(C1-C4)烷基氨基、(C1-C4)酰基氨基、羧基、(C1-C4)烷氧羰基、氨基甲酰基、单或二(C1-C4)烷基氨基甲酰基、氨基(C1-C4)烷基、羟基(C1-C4)烷基或卤代(C1-C4)烷基取代,以及其盐、溶剂合物和季铵盐;涉及其制备方法和含有它们的药物组合物。这些化合物具有神经营养和神经保护活性。

  公开号：

  US05981754A1

文献信息

• 4-aryl-1-phenylalkyl-1,2,3,6-tetrahydropyridines having neurotrophic and
  申请人：Sanofi

  公开号：US05981754A1

  公开（公告）日：1999-11-09

  The present invention relates to the compounds of formula (I) ##STR1## wherein Y is --CH-- or --N--; R.sub.1 is hydrogen, a halogen or a CF.sub.3, (C.sub.3 -C.sub.4)alkyl or (C.sub.1 -C.sub.4)alkoxy group; R.sub.2 is hydrogen, a halogen, a hydroxyl or a CF.sub.3, (C.sub.3 -C.sub.4)alkyl or (C.sub.1 -C.sub.4)alkoxy group; R.sub.3 and R.sub.4 are each hydrogen or a (C.sub.1 -C.sub.3)alkyl; and X is (a) a (C.sub.3 -C.sub.6)alkyl, a (C.sub.3 -C.sub.6)alkoxy, a (C.sub.3 -C.sub.7)carboxyalkyl, a (C.sub.1 -C.sub.4)-alkoxycarbonyl(C.sub.3 -C.sub.6)alkyl, a (C.sub.3 -C.sub.7)carboxyalkoxy or a (C.sub.1 -C.sub.4)alkoxycarbonyl(C.sub.3 -C.sub.6)alkoxy; (b) a radical selected from a (C.sub.3 -C.sub.7)cycloalkyl, (C.sub.3 -C.sub.7)cycloalkoxy, (C.sub.3 -C.sub.7)cycloalkylmethyl, (C.sub.3 -C.sub.7)cycloalkylamino and cyclohexenyl, it being possible for said radical to be substituted by a halogen, hydroxyl, (C.sub.1 -C.sub.4)alkoxy, carboxyl, (C.sub.1 -C.sub.4)alkoxycarbonyl, amino or mono- or di-(C.sub.1 -C.sub.4)alkylamino; or (c) a group selected from a phenyl, phenoxy, phenylamino, N-(C.sub.1 -C.sub.3)alkylphenylamino, phenylmethyl, phenylethyl, phenylcarbonyl, phenylthio, phenylsulfonyl, phenylsulfinyl and styryl, it being possible for said group to be monosubstituted or polysubstituted on the phenyl group by a halogen, CF.sub.3, (C.sub.1 -C.sub.4)alkyl, (C.sub.1 -C.sub.4)alkoxy, cyano, amino, mono- or di-(C.sub.1 -C.sub.4)alkylamino, (C.sub.1 -C.sub.4)acylamino, carboxyl, (C.sub.1 -C.sub.4)-alkoxycarbonyl, aminocarbonyl, mono- or di-(C.sub.1 -C.sub.4)-alkyl-aminocarbonyl, amino(C.sub.1 -C.sub.4)alkyl, hydroxy(C.sub.1 -C.sub.4)alkyl or halogeno(C.sub.1 -C.sub.4)alkyl, as well as the salts and solvates thereof and the quaternary ammonium salts thereof; to a process for their preparation and to pharmaceutical compositions containing them. These compounds have a neurotrophic and neuroprotective activity.

  本发明涉及通式(I)的化合物 ##STR1## 其中Y是--CH--或--N--;R1是氢、卤素、CF3、(C3-C4)烷基或(C1-C4)烷氧基;R2是氢、卤素、羟基、CF3、(C3-C4)烷基或(C1-C4)烷氧基;R3和R4各自为氢或(C1-C3)烷基;X是(a)(C3-C6)烷基、(C3-C6)烷氧基、(C3-C7)羧基烷基、(C1-C4)烷氧羰基(C3-C6)烷基、(C3-C7)羧基烷氧基或(C1-C4)烷氧羰基(C3-C6)烷氧基;(b)选自(C3-C7)环烷基、(C3-C7)环烷氧基、(C3-C7)环烷基甲基、(C3-C7)环烷基氨基和环己烯基的基团,该基团可被卤素、羟基、(C1-C4)烷氧基、羧基、(C1-C4)烷氧羰基、氨基或单或二(C1-C4)烷基氨基取代;或(c)选自苯基、苯氧基、苯基氨基、N-(C1-C3)烷基苯基氨基、苯基甲基、苯乙基、苯甲酰基、苯硫基、苯磺酰基、苯亚磺酰基和苯乙烯基的基团,该基团可在苯基上被一个或多个卤素、CF3、(C1-C4)烷基、(C1-C4)烷氧基、氰基、氨基、单或二(C1-C4)烷基氨基、(C1-C4)酰基氨基、羧基、(C1-C4)烷氧羰基、氨基甲酰基、单或二(C1-C4)烷基氨基甲酰基、氨基(C1-C4)烷基、羟基(C1-C4)烷基或卤代(C1-C4)烷基取代,以及其盐、溶剂合物和季铵盐;涉及其制备方法和含有它们的药物组合物。这些化合物具有神经营养和神经保护活性。