1-(pyrrolidin-1-yl)methyl-2-(3,4-dichlorophenyl)acetyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride | 134469-32-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 1-(pyrrolidin-1-yl)methyl-2-(3,4-dichlorophenyl)acetyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
• 英文别名: 2-(3,4-Dichlorophenyl)-1-[4,4-dimethyl-1-(pyrrolidin-1-ylmethyl)-1,3-dihydroisoquinolin-2-yl]ethanone;hydrochloride
• CAS: 134469-32-2；134469-41-3；134469-42-4
• 化学式: C₂₄H₂₈Cl₂N₂O*ClH
• 分子量: 467.866
• InChiKey: XDKBNXOQANJBJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.91
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  23.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(pyrrolidin-1-yl)methyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline 、 2',3',4'-三氯苯乙酮 在 potassium carbonate 作用下， 以 氯仿 、 乙酸乙酯 为溶剂， 生成 1-(pyrrolidin-1-yl)methyl-2-(3,4-dichlorophenyl)acetyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
  参考文献：
  名称：

  Substituted isoquinoline compounds, pharmaceutical composition and

  摘要：

  化合物，或其醇溶物或盐，化学式（I）：##STR1##其中：RCO是一种酰基，其中基团R含有取代或未取代的碳环芳香族或杂环芳香族环，R.sub.1和R.sub.2分别是氢，C.sub.1-6烷基，C.sub.2-6烯基，C.sub.3-6环烷基或C.sub.4-12环烷基烷基，或者一起形成一个C.sub.2-8支链或线性聚亚甲基或C.sub.2-6烯亚甲基基团，可选地取代一个杂原子；R.sub.3是氢，C.sub.1-6烷基，优选是甲基或乙基，.sup.4或苯基，或者R.sub.3和R.sub.1一起形成一个--(CH.sub.2).sub.3--或--(CH.sub.2).sub.4--基团；R.sub.4和R.sub.5相同且为氢或C.sub.1-6烷基，或者一起形成一个C.sub.2-5线性聚亚甲基基团；R.sub.6和R.sub.7相同且为氢或C.sub.1-6烷基，或者一起形成一个C.sub.2-5线性聚亚甲基基团；或者R.sub.5和R.sub.6一起为--CH.sub.2--，当R.sub.4和R.sub.7中的每一个为氢或C.sub.1-6烷基时；但须遵守R.sub.4、R.sub.5、R.sub.6和R.sub.7不能同时为氢；R.sub.8和R.sub.9，可能相同也可能不同，分别是氢，C.sub.1-6烷基，--CH.sub.2OR.sub.10，卤素，羟基，C.sub.1-6烷氧基，C.sub.1-6烷氧羰基，硫醇，C.sub.1-6烷硫基，##STR2## --NHCOR.sub.12，--NHSO.sub.2R.sub.13，--CH.sub.2SO.sub.2NR.sub.14R.sub.15，其中R.sub.10到R.sub.15中的每一个独立地是氢，C.sub.1-6烷基，芳基或芳基烷基，用于治疗疼痛和/或低钠血症疾病状态和/或脑缺血。

  公开号：

  US05254564A1

文献信息

• Pharmaceuticals
  申请人：SmithKline Beecham Farmaceutici S.p.A.

  公开号：EP0409489A2

  公开（公告）日：1991-01-23

  A compound, or a solvate or salt thereof, of formula (I): in which: RCO is an acyl group in which the group R contains a substituted or unsubstituted carbocyclic aromatic or heterocyclic aromatic ring and R₁ and R₂ are independently hydrogen, C₁₋₆ alkyl, C₂₋₆ alkenyl, C₃₋₆ cycloalkyl or C₄₋₁₂ cycloalkylalkyl groups or together form a C₂₋₈ branched or linear polymethylene or C₂₋₆ alkenylene group optionally substituted with a hetero-atom; R₃ is hydrogen, C₁₋₆ alkyl, preferably methyl or ethyl, or phenyl, or R₃ together with R₁ forms a -(CH₂)₃- or -(CH₂)₄-, group; R₄ and R₅ are identical and are hydrogen or C₁₋₆ alkyl, or together form a C₂₋₅ linear polymethylene group; R₆ and R₇ are identical and are hydrogen or C₁₋₆ alkyl, or together form a C₂₋₅ linear polymethylene group; or R₅ and R₆ are together -CH₂- when each of R₄ and R₇ is hydrogen or C₁₋₆ alkyl; with the proviso that R₄, R₅, R₆ and R₇ are not simultaneously hydrogen R₈ and R₉, which may be the same or different, are each hydrogen, C₁₋₆ alkyl, -CH₂OR₁₀, halogen, hydroxy, C₁₋₆ alkoxy, C₁₋₆ alkoxycarbonyl, thiol, C₁₋₆ alkylthio, -OR₁₁, -NHCOR₁₂, -NHSO₂R₁₃, -CH₂SO₂NR₁₄R₁₅, in which each of R₁₀ to R₁₅ is independently hydrogen, C₁₋₆ alkyl, aryl or aralkyl, is useful for the treatment of pain, and or hyponatraemic disease states and/or cerebral ischaemia.

  一种式(I)化合物或其溶液或盐： 其中 RCO 是酰基，其中基团 R 含有取代或未取代的碳环芳香环或杂环芳香环，且 R₁ 和 R₂ 独立地为氢、C₁₋₆ 烷基、C₂₋₆ 烯基、C₃₋₆ 环烷基或 C₃₋₆ 环烷基、C₃₋₆环烷基或 C₄₋₁₂ 环烷基烷基，或共同形成 C₂₋₈支链或线性聚亚甲基或 C₂₋₆烯基，可选择被杂原子取代； R₃ 是氢、C₁₋₆ 烷基（最好是甲基或乙基）或苯基，或 R₃ 与 R₁ 一起形成 -(CH₂)₃- 或 -(CH₂)₄- 基团； R₄ 和 R₅ 相同且为氢或 C₁₋₆ 烷基，或共同形成 C₂₋₅ 直链聚亚甲基； R₆ 和 R₇ 相同且为氢或 C₁₋₆ 烷基，或共同形成 C₂₋₅ 直链聚亚甲基； 或当 R₄ 和 R₇ 各自为氢或 C₁₋₆ 烷基时，R₅ 和 R₆ 共同为 -CH₂-； 但 R₄、R₅、R₆ 和 R₇ 不能同时为氢 R₈ 和 R₉（可以相同或不同）各自为氢、C₁₋₆ 烷基、-CH₂OR₁₀、卤素、羟基、C₁₋₆ 烷氧基、C₁₋₆ 烷氧羰基、硫醇、C₁₋₆ 烷硫基、 -OR₁₁、-NHCOR₁₂、-NHSO₂R₁₃、-CH₂SO₂NR₁₄R₁₅，其中 R₁₀至 R₁₅ 各独立为氢、C₁₋₆烷基、芳基或芳烷基，可用于治疗疼痛、或低钠血症疾病状态和/或脑缺血。
• US5254564A
  申请人：——

  公开号：US5254564A

  公开（公告）日：1993-10-19
• Substituted isoquinoline compounds, pharmaceutical composition and
  申请人：Lo Zambeletti S.p.A.

  公开号：US05254564A1

  公开（公告）日：1993-10-19

  A compound, or a solvate or salt thereof, of formula (I): ##STR1## in which: RCO is an acyl group in which the group R contains a substituted or unsubstituted carbocyclic aromatic or heterocyclic aromatic ring and R.sub.1 and R.sub.2 are independently hydrogen, C.sub.1-6 alkyl, C.sub.2-6 alkenyl, C.sub.3-6 cycloalkyl or C.sub.4-12 cycloalkylalkyl groups or together form a C.sub.2-8 branched or linear polymethylene or C.sub.2-6 alkenylene group optionally substituted with a hetero-atom; R.sub.3 is hydrogen, C.sub.1-6 alkyl, preferably methyl or ethyl, .sup.4 or phenyl, or R.sub.3 together with R.sub.1 forms a --(CH.sub.2).sub.3 -- or --(CH.sub.2).sub.4 --, group; R.sub.4 and R.sub.5 are identical and are hydrogen or C.sub.1-6 alkyl, or together form a C.sub.2-5 linear polymethylene group; R.sub.6 and R.sub.7 are identical and are hydrogen or C.sub.1-6 alkyl, or together form a C.sub.2-5 linear polymethylene group; or R.sub.5 and R.sub.6 are together --CH.sub.2 -- when each of R.sub.4 and R.sub.7 is hydrogen or C.sub.1-6 alkyl; with the proviso that R.sub.4, R.sub.5, R.sub.6 and R.sub.7 are not simultaneously hydrogen; R.sub.8 and R.sub.9, which may be the same or different, are each hydrogen, C.sub.1-6 alkyl, --CH.sub.2 OR.sub.10, halogen, hydroxy, C.sub.1-6 alkoxy, C.sub.1-6 alkoxycarbonyl, thiol, C.sub.1-6 alkylthio, ##STR2## --NHCOR.sub.12, --NHSO.sub.2 R.sub.13, --CH.sub.2 SO.sub.2 NR.sub.14 R.sub.15, in which each of R.sub.10 to R.sub.15 is independently hydrogen, C.sub.1-6 alkyl, aryl or aralkyl, is useful for the treatment of pain, and or hyponatraemic disease states and/or cerebral ischaemia.

  化合物，或其醇溶物或盐，化学式（I）：##STR1##其中：RCO是一种酰基，其中基团R含有取代或未取代的碳环芳香族或杂环芳香族环，R.sub.1和R.sub.2分别是氢，C.sub.1-6烷基，C.sub.2-6烯基，C.sub.3-6环烷基或C.sub.4-12环烷基烷基，或者一起形成一个C.sub.2-8支链或线性聚亚甲基或C.sub.2-6烯亚甲基基团，可选地取代一个杂原子；R.sub.3是氢，C.sub.1-6烷基，优选是甲基或乙基，.sup.4或苯基，或者R.sub.3和R.sub.1一起形成一个--(CH.sub.2).sub.3--或--(CH.sub.2).sub.4--基团；R.sub.4和R.sub.5相同且为氢或C.sub.1-6烷基，或者一起形成一个C.sub.2-5线性聚亚甲基基团；R.sub.6和R.sub.7相同且为氢或C.sub.1-6烷基，或者一起形成一个C.sub.2-5线性聚亚甲基基团；或者R.sub.5和R.sub.6一起为--CH.sub.2--，当R.sub.4和R.sub.7中的每一个为氢或C.sub.1-6烷基时；但须遵守R.sub.4、R.sub.5、R.sub.6和R.sub.7不能同时为氢；R.sub.8和R.sub.9，可能相同也可能不同，分别是氢，C.sub.1-6烷基，--CH.sub.2OR.sub.10，卤素，羟基，C.sub.1-6烷氧基，C.sub.1-6烷氧羰基，硫醇，C.sub.1-6烷硫基，##STR2## --NHCOR.sub.12，--NHSO.sub.2R.sub.13，--CH.sub.2SO.sub.2NR.sub.14R.sub.15，其中R.sub.10到R.sub.15中的每一个独立地是氢，C.sub.1-6烷基，芳基或芳基烷基，用于治疗疼痛和/或低钠血症疾病状态和/或脑缺血。