2[4-[1,1-Dimethylethylamino]butoxy]-N-(1H-indol-4-yl)benzamide | 119265-50-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2[4-[1,1-Dimethylethylamino]butoxy]-N-(1H-indol-4-yl)benzamide
• 英文别名: 2-[4-[1,1-dimethylethylamino]butoxy]-N-(1H-indol-4-yl)benzamide；2-[4-(tert-butylamino)butoxy]-N-(1H-indol-4-yl)benzamide
• CAS: 119265-50-8
• 化学式: C₂₃H₂₉N₃O₂
• 分子量: 379.502
• InChiKey: PVDMLFJFFZEBNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  66.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2[4-[1,1-Dimethylethylamino]butoxy]-N-(1H-indol-4-yl)benzamide 生成 2-(4-(1,1-Dimethylethylamino)butoxy)-N-(1H-indol-4-yl)benzamide fumarate
  参考文献：
  名称：

  CLEMENCE, FRANCOIS;GUILLAUME, JACQUES;HAMON, GILLES

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(4-bromobutoxy)-N-(1H-indol4-yl)benzamide 生成 2[4-[1,1-Dimethylethylamino]butoxy]-N-(1H-indol-4-yl)benzamide
  参考文献：
  名称：

  CLEMENCE, FRANCOIS;GUILLAUME, JACQUES;HAMON, GILLES

  摘要：

  DOI：

文献信息

• Indole carboxamides
  申请人：Roussel-Uclaf

  公开号：US05380722A1

  公开（公告）日：1995-01-10

  Novel indole-carboxamides of the formula ##STR1## and their non-toxic pharmaceutically acceptable acid addition salts having remarkable anti-arrhytmic properties.

  这是一种具有显著抗心律失常特性的新型吲哚羧酰胺化合物及其无毒的药用酸盐，化学式为##STR1##。
• N-(1H-indole-4-yl)-benzamides
  申请人：Uclaf; Roussel

  公开号：US04908367A1

  公开（公告）日：1990-03-13

  Novel indole carboxamides of the formula ##STR1## wherein R and R.sub.1 are individually selected from the group consisting of hydrogen, alkyl of 1 to 5 carbon atoms, cycloalkyl of 3 to 7 carbon atoms, cycloalkylalkyl of 4 to 7 carbon atoms and aralkyl of 7 to 12 carbon atoms optionally substituted with 1 to 3 members of the group consisting of halogen, methyl, ethyl, methoxy, ethoxy, --CF.sub.3, CH.sub.3 S--, --NH.sub.2 and --NO.sub.2 or R.sub.1 and R taken together with the nitrogen atom form an optionally unsaturated heterocycle optionally containing a member of the group consisting of --O--, --S-- and ##STR2## R' is selected from the group consisting of hydrogen, alkyl of 1 to 5 carbon atoms, phenyl, naphthyl, aralkyl of 7 to 12 carbon atoms and substituted phenyl, R.sub.3 is selected from the group consisting of hydrogen, alkyl of 1 to 5 carbon atoms, alkoxy of 1 to 3 carbon atoms, chlorine, bromine, iodine, --NO.sub.2, --NH.sub.2, acylamide of an aliphatic carboxylic acid of 2 to 5 carbon atoms and mono and dialkylamino with alkyl of 1 to 5 carbon atoms, a and b form .dbd.O and c is hydrogen or a and c form a carbon-carbon bond and b is hydrogen, A is selected from the group consisting of --(CH.sub.2).sub.n -- and ##STR3## n is an integer from 2 to 5, m is an integer from 1 to 3, B is ##STR4## R.sub.2 is selected from the group consisting of hydrogen and alkyl of 1 to 5 carbon atoms and their non-toxic, pharmaceutically acceptable acid addition salts having remarkable anti-arrhytmic properties.

  该专利描述了一类新型的吲哚羧酰胺类化合物，其分子式为：##STR1##其中R和R.sub.1分别选自氢、1至5个碳原子的烷基、3至7个碳原子的环烷基、4至7个碳原子的环烷基烷基和7至12个碳原子的芳基烷基，可选地被1至3个卤素、甲基、乙基、甲氧基、乙氧基、--CF.sub.3、CH.sub.3S--、--NH.sub.2和--NO.sub.2等基团取代，或者R.sub.1和R与氮原子结合形成一个可选的不饱和杂环，该杂环可选地包含--O--、--S--和##STR2##等基团。R'选自氢、1至5个碳原子的烷基、苯基、萘基、7至12个碳原子的芳基烷基和取代苯基，R.sub.3选自氢、1至5个碳原子的烷基、1至3个碳原子的烷氧基、氯、溴、碘、--NO.sub.2、--NH.sub.2、2至5个碳原子的脂肪羧酰胺和1至5个碳原子的单烷基和双烷基氨基，a和b形成.dbd.O，c为氢或a和c形成碳-碳键，b为氢，A选自--(CH.sub.2).sub.n--和##STR3##，n为2至5的整数，m为1至3的整数，B为##STR4##，R.sub.2选自氢和1至5个碳原子的烷基，以及其无毒、药学上可接受的酸盐，具有显著的抗心律失常作用。
• Novel indole carboxamides
  申请人：Roussel Uclaf

  公开号：US05084455A1

  公开（公告）日：1992-01-28

  Novel indole-carboxamides of the formula ##STR1## wherein R and R.sub.1 are individually selected from the group consisting of hydrogen, alkyl of 1 to 5 carbon atoms, cycloalkyl of 3 to 7 carbon atoms, cycloalkylalkyl of 4 to 7 carbon atoms and aralkyl of 7 to 12 carbon atoms optionally substituted with 1 to 3 members of the group consisting of halogen, methyl, ethyl, methoxy, ethoxy, --CF.sub.3, CH.sub.3 S--, --NH.sub.2 and --NO.sub.2 or R.sub.1 and R taken together with the nitrogen atom form an optionally unsaturated heterocycle optionally containing a member of the group consisting of --O--, --S-- and ##STR2## R' is selected from the group consisting of hydrogen, alkyl of 1 to 5 carbon atoms, phenyl, naphthyl, aralkyl of 7 to 12 carbon atoms and substituted phenyl, R.sub.3 is selected from the group consisting of hydrogen, alkyl of 1 to 5 carbon atoms, alkoxy of 1 to 3 carbon atoms, chlorine, bromine, iodine --NO.sub.2, --NH.sub.2, acylamide of an aliphatic carboxylic acid of 2 to 5 carbon atoms and mono and dialkylamino with alkyl of 1 to 5 carbon atoms, a and b form .dbd.0 and c is hydrogen or a and c form a carbon-carbon bond and b is hydrogen, A is selected from the group consisting of --(CH.sub.2).sub.n -- and ##STR3## n is an integer from 2 to 5, m is an integer from 1 to 3, B is ##STR4## R.sub.2 is selected from the group consisting of hydrogen and alkyl of 1 to 5 carbon atoms and their non-toxic, pharmaceutically acceptable acid addition salts having remarkable anti-arrhythmic properties.

  式子为 ##STR1## 的新型吲哚羧酰胺，其中R和R.sub.1分别选自以下组中的一种：氢、1至5个碳原子的烷基、3至7个碳原子的环烷基、4至7个碳原子的环烷基烷基和7至12个碳原子的芳基烷基，可选地用卤素、甲基、乙基、甲氧基、乙氧基、--CF.sub.3、CH.sub.3S--、--NH.sub.2和--NO.sub.2中的1至3个成员替代，或R.sub.1和R与氮原子一起形成一个可选的不饱和杂环，该杂环可选地包含以下组中的一个成员：--O--、--S--和##STR2## R'选自以下组中的一种：氢、1至5个碳原子的烷基、苯基、萘基、7至12个碳原子的芳基烷基和取代的苯基，R.sub.3选自以下组中的一种：氢、1至5个碳原子的烷基、1至3个碳原子的烷氧基、氯、溴、碘、--NO.sub.2、--NH.sub.2、2至5个碳原子的脂肪族羧酸酰胺和具有1至5个碳原子的烷基的单烷基和双烷基氨基，a和b形成.dbd.0，c为氢或a和c形成碳-碳键，b为氢，A选自以下组中的一种：--(CH.sub.2).sub.n--和##STR3##，n为2至5的整数，m为1至3的整数，B为##STR4##，R.sub.2选自以下组中的一种：氢和1至5个碳原子的烷基，以及其非毒性、药学上可接受的酸盐，具有显著的抗心律失常作用。
• US4908367A
  申请人：——

  公开号：US4908367A

  公开（公告）日：1990-03-13
• US5084455A
  申请人：——

  公开号：US5084455A

  公开（公告）日：1992-01-28