N-[2-(2,3-Dihydro-1H-indol-1-yl)phenyl]-4-methyl-1-piperazinecarboxamide Maleate

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-[2-(2,3-Dihydro-1H-indol-1-yl)phenyl]-4-methyl-1-piperazinecarboxamide Maleate
• 英文别名: (Z)-but-2-enedioic acid;N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-methylpiperazine-1-carboxamide
• 化学式: C₄H₄O₄*C₂₀H₂₄N₄O
• 分子量: 452.51
• InChiKey: BQFHDWFKSIKXTK-BTJKTKAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(2-aminophenyl)indoline 、 三乙胺 、 4-甲基哌嗪-1-甲酰氯盐酸盐 、 顺丁烯二酸 在 氮气 、 水 、 Sodium sulfate-III 、 乙醇 作用下， 以 氯仿 、 乙醇 、 水 为溶剂， 反应 47.33h， 以to afford 19.2 g (43%)的产率得到N-[2-(2,3-Dihydro-1H-indol-1-yl)phenyl]-4-methyl-1-piperazinecarboxamide Maleate
  参考文献：
  名称：

  Benzopyrrolobenzodiazepines and quinobenzodiazepines useful for the

  摘要：

  本发明涉及式子##STR1##的苯并吡咯苯并二氮杂环己烷和喹诺苯并二氮杂环己烷，其中X和Y可以相同或不同，每个都是氢，卤素，CF.sub.3，低烷基，低烷氧基，低烷硫基和低烷基磺酰基，p和q独立地为1或2;当R.sub.2与R.sub.3连接形成--(CH.sub.2).sub.m --CH.sub.2--基团或--CH.dbd.CH--基团时，R.sub.1为氢;当R.sub.1与R.sub.2连接形成--(CH.sub.2).sub.m --CH.sub.2--基团或--CH.dbd.CH--基团时，R.sub.3为氢; m为1或2; R.sub.4为NR.sub.5R.sub.6，其中R.sub.5为氢或低烷基，R.sub.6为氢，低烷基或(CH.sub.2).sub.n NR.sub.7R.sub.8基团，其中R.sub.7和R.sub.8为低烷基，n为2或3，##STR2##其中R.sub.9为低烷基，##STR3##其中R.sub.10为CH.sub.2CH.sub.2OH，低烷基，苯基，被卤素，CF.sub.3，低烷基，低烷氧基或低烷硫基取代的苯基，苄基，被卤素，CF.sub.3，低烷基，低烷氧基或低烷硫基取代的苄基或CO.sub.2R.sub.11，其中R.sub.11为低烷基，或其药学上可接受的酸盐。

  公开号：

  US04761412A1

文献信息

• Benzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepines having dopamine receptor
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US04663453A1

  公开（公告）日：1987-05-05

  The invention relates to benzopyrrolobenzodiazepines and quinobenzodiazepines of the formula ##STR1## where X and Y may be the same or different and each is hydrogen, halogen, CF.sub.3, lower alkyl, lower alkoxy, lower alkylthio and lower alkylsulfonyl, p and q are independently 1 or 2; R.sub.1 is hydrogen when R.sub.2 is bonded to R.sub.3 to form a --(CH.sub.2).sub.m --CH.sub.2 -- group or a --CH.dbd.CH-- group; R.sub.3 is hydrogen when R.sub.1 is bonded to R.sub.2 to form a --(CH.sub.2).sub.m --CH.sub.2 -- group or a --CH.dbd.CH-- group; m is 1 or 2; R.sub.4 is NR.sub.5 R.sub.6 wherein R.sub.5 is hydrogen or lower alkyl and R.sub.6 is hydrogen, lower alkyl or a group of the formula (CH.sub.2).sub.n NR.sub.7 R.sub.8 wherein R.sub.7 and R.sub.8 are lower alkyl, and n is 2 or 3, ##STR2## wherein R.sub.9 is lower alkyl, ##STR3## wherein R.sub.10 is CH.sub.2 CH.sub.2 OH, lower alkyl, phenyl, phenyl substituted by halogen, CF.sub.3, lower alkyl, lower alkoxy or lower alkylthio, benzyl, benzyl in which the phenyl group is substituted by halogen, CF.sub.3, lower alkyl, lower alkoxy or lower alkylthio or CO.sub.2 R.sub.11 wherein R.sub.11 is lower alkyl, or a pharmaceutically acceptable acid salt thereof.

  本发明涉及式为##STR1##的苯并吡咯苯并二氮杂环己烷和喹诺苯并二氮杂环己烷，其中X和Y可以相同也可以不同，每个都是氢、卤素、CF.sub.3、低烷基、低烷氧基、低烷硫基和低烷基磺酰基，p和q是独立的1或2；当R.sub.2与R.sub.3结合形成--(CH.sub.2).sub.m --CH.sub.2 --基团或--CH.dbd.CH--基团时，R.sub.1为氢；当R.sub.1与R.sub.2结合形成--(CH.sub.2).sub.m --CH.sub.2 --基团或--CH.dbd.CH--基团时，R.sub.3为氢；m为1或2；R.sub.4为NR.sub.5 R.sub.6，其中R.sub.5为氢或低烷基，R.sub.6为氢、低烷基或(CH.sub.2).sub.n NR.sub.7 R.sub.8的基团，其中R.sub.7和R.sub.8为低烷基，n为2或3，##STR2##其中R.sub.9为低烷基，##STR3##其中R.sub.10为CH.sub.2 CH.sub.2 OH、低烷基、苯基、卤代苯基、CF.sub.3、低烷氧基或低烷硫基的取代苯基、苄基、卤代苄基、CF.sub.3、低烷氧基或低烷硫基的取代苄基或CO.sub.2 R.sub.11，其中R.sub.11为低烷基，或其药学上可接受的酸盐。
• Benzopyrrolobenzodiazepines and quinobenzodiazepines
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US04723007A1

  公开（公告）日：1988-02-02

  The invention relates to benzopyrrolobenzodiazepines and quinobenzodiazepines of the formula ##STR1## where X and Y may be the same or different and each is hydrogen, halogen, CF.sub.3, lower alkyl, lower alkoxy, lower alkylthio and lower alkylsulfonyl, p and q are independently 1 or 2; R.sub.1 is hydrogen when R.sub.2 is bonded to R.sub.3 to form a --(CH.sub.2).sub.m --CH.sub.2 -- group or a --CH.dbd.CH-- group; R.sub.3 is hydrogen when R.sub.1 is bonded to R.sub.2 to form a --(CH.sub.2).sub.m --CH.sub.2 -- group or a --CH.dbd.CH-- group; m is 1 or 2; R.sub.4 is NR.sub.5 R.sub.6 wherein R.sub.5 is hydrogen or lower alkyl and R.sub.6 is hydrogen, lower alkyl or a group of the formula (CH.sub.2).sub.n NR.sub.7 R.sub.8 wherein R.sub.7 and R.sub.8 are lower alkyl, and n is 2 or 3, ##STR2## wherein R.sub.9 is lower alkyl, ##STR3## wherein R.sub.10 is CH.sub.2 CH.sub.2 OH, lower alkyl, phenyl, phenyl substituted by halogen, CF.sub.3, lower alkyl, lower alkoxy or lower alkylthio, benzyl, benzyl in which the phenyl group is substituted by halogen, CF.sub.3, lower alkyl, lower alkoxy or lower alkylthio or CO.sub.2 R.sub.11 wherein R.sub.11 is lower alkyl, or a pharmaceutically acceptable acid salt thereof.

  本发明涉及公式##STR1##中的苯并吡咯苯并二氮杂环和喹诺苯并二氮杂环，其中X和Y可以相同也可以不同，每个都是氢、卤素、CF.sub.3、低烷基、低烷氧基、低烷硫基和低烷基磺酰基，p和q独立地为1或2; 当R.sub.2与R.sub.3结合形成--(CH.sub.2).sub.m --CH.sub.2--基团或--CH.dbd.CH--基团时，R.sub.1为氢; 当R.sub.1与R.sub.2结合形成--(CH.sub.2).sub.m --CH.sub.2--基团或--CH.dbd.CH--基团时，R.sub.3为氢; m为1或2; R.sub.4为NR.sub.5R.sub.6，其中R.sub.5为氢或低烷基，R.sub.6为氢、低烷基或(CH.sub.2).sub.nNR.sub.7R.sub.8的基团，其中R.sub.7和R.sub.8为低烷基，n为2或3，##STR2##其中R.sub.9为低烷基，##STR3##其中R.sub.10为CH.sub.2CH.sub.2OH、低烷基、苯基、被卤素、CF.sub.3、低烷基氧基或低烷硫基取代的苯基、苄基、苄基中苯基被卤素、CF.sub.3、低烷基氧基或低烷硫基取代或CO.sub.2R.sub.11，其中R.sub.11为低烷基，或其药学上可接受的酸盐。
• Benzopyrrolobenzodiazepines and quinobenzodiazepines useful for the
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US04761412A1

  公开（公告）日：1988-08-02

  The invention relates to benzopyrrolobenzodiazepines and quinobenzodiazepines of the formula ##STR1## where X and Y may be the same or different and each is hydrogen, halogen, CF.sub.3, lower alkyl, lower alkoxy, lower alkylthio and lower alkylsulfonyl, p and q are independently 1 or 2; R.sub.1 is hydrogen when R.sub.2 is bonded to R.sub.3 to form a --(CH.sub.2).sub.m --CH.sub.2 -- group or a --CH.dbd.CH-- group; R.sub.3 is hydrogen when R.sub.1 is bonded to R.sub.2 to form a --(CH.sub.2).sub.m --CH.sub.2 -- group or a --CH.dbd.CH-- group; m is 1 or 2; R.sub.4 is NR.sub.5 R.sub.6 wherein R.sub.5 is hydrogen or lower alkyl and R.sub.6 is hydrogen, lower alkyl or a group of the formula (CH.sub.2).sub.n NR.sub.7 R.sub.8 wherein R.sub.7 and R.sub.8 are lower alkyl, and n is 2 or 3, ##STR2## wherein R.sub.9 is lower alkyl, ##STR3## wherein R.sub.10 is CH.sub.2 CH.sub.2 OH, lower alkyl, phenyl, phenyl substituted by halogen, CF.sub.3, lower alkyl, lower alkoxy or lower alkylthio, benzyl, benzyl in which the phenyl group is substituted by halogen, CF.sub.3, lower alkyl, lower alkoxy or lower alkylthio or CO.sub.2 R.sub.11 wherein R.sub.11 is lower alkyl, or a pharmaceutically acceptable acid salt thereof.

  本发明涉及式子##STR1##的苯并吡咯苯并二氮杂环己烷和喹诺苯并二氮杂环己烷，其中X和Y可以相同或不同，每个都是氢，卤素，CF.sub.3，低烷基，低烷氧基，低烷硫基和低烷基磺酰基，p和q独立地为1或2;当R.sub.2与R.sub.3连接形成--(CH.sub.2).sub.m --CH.sub.2--基团或--CH.dbd.CH--基团时，R.sub.1为氢;当R.sub.1与R.sub.2连接形成--(CH.sub.2).sub.m --CH.sub.2--基团或--CH.dbd.CH--基团时，R.sub.3为氢; m为1或2; R.sub.4为NR.sub.5R.sub.6，其中R.sub.5为氢或低烷基，R.sub.6为氢，低烷基或(CH.sub.2).sub.n NR.sub.7R.sub.8基团，其中R.sub.7和R.sub.8为低烷基，n为2或3，##STR2##其中R.sub.9为低烷基，##STR3##其中R.sub.10为CH.sub.2CH.sub.2OH，低烷基，苯基，被卤素，CF.sub.3，低烷基，低烷氧基或低烷硫基取代的苯基，苄基，被卤素，CF.sub.3，低烷基，低烷氧基或低烷硫基取代的苄基或CO.sub.2R.sub.11，其中R.sub.11为低烷基，或其药学上可接受的酸盐。
• Dibenzodiazepin derivatives, a process for their preparation and their use as medicaments
  申请人：HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED

  公开号：EP0129692A2

  公开（公告）日：1985-01-02

  The invention relates to dihydrobenzopyrrolobenzodiazepines of the formula where X and Y may be the same or different and each is hydrogen, halogen, CF., lower alkoxy, lower alkylthio and lower alkylsulfonyl; R, is hydrogen when R2 is bonded to R3 to form a -(CH2)m-CH2-group or a -CH=CH-group; R3 is hydrogen when R, is bonded to R. to form a -(CH2)m-CH2- group or a -CH-CH- group; and R4 is NR5R6 wherein R. is hydrogen or lower alkyl and R6 is hydrogen, lower alkyl or a group of the formula (CH2)nNR7R8 wherein R7 and R. are lower alkyl, m is 1 or 2 and n is 2 or 3, wherein R. is lower alkyl, or wherein R10 is lower alkyl, phenyl, phenyl substituted by halogen, CF3, lower alkyl, lower alkoxy or lower alkylthio, benzyl, benzyl in which the phenyl group is substituted by halogen, CF3, lower alkyl, lower alkoxy or lower alkylthio or CO2R11, wherein R11 is lower alkyl, or a pharmaceutically acceptable acid salt thereof.

  本发明涉及式如下的二氢吡咯并二氮杂卓 式中 X 和 Y 可以相同或不同，各自为氢、卤素、CF、当 R2 与 R3 键合形成-(CH2)m-CH2-基团或-CH=CH-基团时，R3 为氢；当 R2 与 R3 键合形成-(CH2)m-CH2-基团或-CH=CH-基团时，R3 为氢。和 R4 是 NR5R6，其中 R. 是氢或低级烷基，R6 是氢、低级烷基或式 (CH2)nNR7R8 的基团，其中 R7 和 R. 是低级烷基，m 是 1 或 2，n 是 2 或 3、 其中 R. 为低级烷基 或 其中 R10 为低级烷基、苯基、被卤素、CF3、低级烷基、低级烷氧基或低级烷硫基取代的苯基、苄基、苯基被卤素、CF3、低级烷基、低级烷氧基或低级烷硫基取代的苄基或 CO2R11（其中 R11 为低级烷基）或其药学上可接受的酸盐。
• US4663453A
  申请人：——

  公开号：US4663453A

  公开（公告）日：1987-05-05