(RS)-N-methyl-3-methyl-3-(N-methylthiocarbamoyloxymethyl)-1,2,3,4-tetrahydroisoquinoline

• 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: (RS)-N-methyl-3-methyl-3-(N-methylthiocarbamoyloxymethyl)-1,2,3,4-tetrahydroisoquinoline
• 英文别名: O-[(2,3-dimethyl-1,4-dihydroisoquinolin-3-yl)methyl] N-methylcarbamothioate
• 化学式: C₁₄H₂₀N₂OS
• 分子量: 264.392
• InChiKey: RGTPRXPMWWSOAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  56.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (RS)-3-hydroxymethyl-3-methyl-N-methyl-1,2,3,4-tetrahydroisoquinoline 、 异硫氰酸甲酯 在 sodium hydride 作用下， 以 二氯甲烷 为溶剂， 反应 2.25h， 生成 (RS)-N-methyl-3-methyl-3-(N-methylthiocarbamoyloxymethyl)-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  TETRAHYDRO ISOQUINO LINEALKANOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME

  摘要：

  公开号：

  EP1149079B1

文献信息

• Tetrahydroisoquinolinealkanol derivatives and pharmaceutical
  申请人：SK Corporation

  公开号：US05955471A1

  公开（公告）日：1999-09-21

  The present invention provides novel 1,2,3,4-tetrahydroisoquinoline carbamate and thiocarbamate derivatives represented by Formula I ##STR1## wherein: X.sub.1 and X.sub.2 are the same or different from each other and independently represent a a member selected from the group consisting of hydrogen, alkyl, alkoxy, thioalkoxy, halogen, hydroxy, nitro and trifluorocarbon; Y is a member selected from the group consisting of oxygen and sulfur; R.sub.1 is a member selected from the group consisting of hydrogen, alkyl, arylalkyl, and CONHR' where R' is selected from the group consisting of hydrogen, alkyl, arylalkyl and aryl; R.sub.2 and R.sub.3 are the same or different from each other and independently represent a member selected from the group consisting of hydrogen, alkyl, arylalkyl, and cycloalkyl, or R.sub.2 and R.sub.3 may form a 5 to 7-membered ring together with the nitrogen atom to which they are bonded; R.sub.4 is a member selected from the group consisting of hydrogen or lower alkyl; and nontoxic pharmacologically acceptable salts thereof. Compounds are useful in the treatment of central nervous system disorders, including depression.

  本发明提供了新颖的1,2,3,4-四氢异喹啉氨基甲酸酯和硫代氨基甲酸酯衍生物，其结构如式I所示 ##STR1## 其中：X1和X2彼此相同或不同，独立地表示氢、烷基、烷氧基、硫代烷氧基、卤素、羟基、硝基和三氟甲基中的一种；Y表示氧或硫；R1表示氢、烷基、芳基烷基和CONHR'中的一种，其中R'表示氢、烷基、芳基烷基和芳基中的一种；R2和R3彼此相同或不同，独立地表示氢、烷基、芳基烷基和环烷基中的一种，或者R2和R3可以与它们所连接的氮原子一起形成5至7元环；R4表示氢或低级烷基；以及其无毒的药理学上可接受的盐。这些化合物可用于治疗中枢神经系统疾病，包括抑郁症。
• US5955471A
  申请人：——

  公开号：US5955471A

  公开（公告）日：1999-09-21
• [EN] TETRAHYDRO ISOQUINO LINEALKANOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME<br/>[FR] DERIVES DE TETRAHYDRO ISOQUINO LINEALCANOL ET COMPOSITIONS PHARMACEUTIQUES CONTENANTS CES DERIVES
  申请人：SK CORP

  公开号：WO2000046204A1

  公开（公告）日：2000-08-10

  The present invention provides novel 1,2,3,4-tetrahydro isoquinoline carbamate and thiocarbamate derivatives represented by Formula (I), wherein: X1 and X2 are the same or different from each other and independently represent a member selected from the group consisting of hydrogen, alkyl, alkoxy, thioalkoxy, halogen, hydroxy, nitro and trifluorocarbon; Y is a member selected from the group consisting of oxygen and sulfur; R1 is a member selected from the group consisting of hydrogen, alkyl, arylalkyl, and CONHR' where R' is selected from the group consisting of hydrogen, alkyl, arylalkyl and aryl; R2 and R3 are the same or different from each other and independently represent a member selected from the group consisting of hydrogen, alkyl, arylalkyl, and cycloalkyl, or R2 and R3 may form a 5 to 7-membered ring together with the nitrogen atom to which they are bonded; R4 is a member selected from the group consisting of hydrogen or lower alkyl; and nontoxic pharmacologically acceptable salts thereof. Compounds are useful in the treatment of central nervous system disorders, including depression.
• TETRAHYDRO ISOQUINO LINEALKANOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME
  申请人：SK Corporation

  公开号：EP1149079B1

  公开（公告）日：2004-04-21