1-环己基-3-氨基吡咯烷 | 46037-45-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-环己基-3-氨基吡咯烷
• 英文名称: 1-cyclohexylpyrrolidin-3-amine
• 英文别名: 1-Cyclohexyl-3-amino-pyrrolidin；1-cyclohexyl-3-aminopyrrolidine；N-cyclohexyl-3-aminopyrrolidine；3-amino-1-cyclohexylpyrrolidine；1-cyclohexyl-pyrrolidin-3-ylamine
• CAS: 46037-45-0
• 化学式: C₁₀H₂₀N₂
• 分子量: 168.282
• InChiKey: DPEPZAJVZHRORQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-溴苯甲酰氯 、 1-环己基-3-氨基吡咯烷 在 sodium hydroxide 、 氯仿 、 Sodium sulfate-III 、 ethyl acetate diisopropyl ether 、 乙酸乙酯 、 盐酸 作用下， 以 氯仿 为溶剂， 反应 1.0h， 生成 3-bromo-N-(1-cyclohexyl-pyrrolidin-3-yl)-benzamide
  参考文献：
  名称：

  Method for controlling emesis with

  摘要：

  本发明公开了一种利用N-(1-取代-3-吡咯烷基)苯甲酰胺和硫代苯甲酰胺控制呕吐的方法，其化学式为：##SPC1## 其中R是环烷基、苯基和苯基较低烷基；R.sup.1是氢、1至8个碳原子的低烷基和苯基；R.sup.2是卤素、低烷基、低烷氧基、氨基、硝基、单烷基氨基、二烷基氨基、巯基甲基、乙酰胺基、磺酰胺基、氰基、羟基、苄氧基和三氟甲基；X是氧和硫；n是0到3的整数，包括其药物可接受的酸加盐。其中，R为环己基且R.sup.1为低烷基的苯甲酰胺化合物特别有效作为抗恶心药物，并且具有最小的副作用。

  公开号：

  US03966957A1
• 作为产物：
  描述：

  benzyl (1-cyclohexylpyrrolidin-3-yl)carbamate 在 palladium 10% on activated carbon 、 氢气 作用下， 20.0 ℃ 、101.33 kPa 条件下， 反应 20.0h， 以75%的产率得到1-环己基-3-氨基吡咯烷
  参考文献：
  名称：

  Discovery of 2-substituted 1 H -benzo[ d ]immidazole-4-carboxamide derivatives as novel poly(ADP-ribose)polymerase-1 inhibitors with in vivo anti-tumor activity

  摘要：

  Novel 1H-benzo[d]immidazole-4-carboxamide derivatives bearing five-membered or six-membered N-heterocyclic moieties at the 2-position were designed and synthesized as PARP-1 inhibitors. Structure activity relationships were conducted and led to a number of potent PARP-1 inhibitors having IC50 values in the single or double digit nanomolar level. Some potent PARP-1 inhibitors also had similar inhibitory activities against PARP-2. Among all the synthesized compounds, compound 10a and 11e displayed strong potentiation effects on temozolomide (TMZ) in MX-1 cells (PF50 = 7.10, PF50 = 4.17). In vivo tumor growth inhibition was investigated using compound 10a in combination with TMZ, and it was demonstrated that compound 10a could strongly potentiate the cytotoxicity of TMZ in MX-1 xenograft tumor model. Two co-crystal structures of compounds 11b and 15e complexed with PARP-1 were achieved and demonstrated a unique binding mode of these benzo-imidazole derivatives. (C) 2017 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2017.03.013

文献信息

• Substituted 2,3-alkylene bis (oxy) benzamides and derivatives and method
  申请人：Societe D'Etudes Scientifiques et Industrielles de L'ile-de-France

  公开号：US04186135A1

  公开（公告）日：1980-01-29

  Novel substituted 2,3-alkylene bis (oxy) benzamides and derivatives thereof are disclosed. Also disclosed is a method for producing said compounds. The compounds have anxiolytic, psychostimulant, disinhibiting and thymoanaleptic properties useful therapeutically in the psychofunctional field, particularly in gastro-enterology, cardiology, urology, rheumatology and gynaecology.

  揭示了新型取代的2,3-烷基双(氧基)苯甲酰胺及其衍生物。还公开了一种生产该类化合物的方法。这些化合物具有抗焦虑、精神刺激、解禁和抗抑郁特性，在心理功能领域中具有治疗作用，特别是在胃肠病学、心脏病学、泌尿学、风湿病学和妇科学中。
• N-Heterocyclic-9-xanthenylamines
  申请人：SmithKline Corporation

  公开号：US04005208A1

  公开（公告）日：1977-01-25

  The compounds are N-piperidinyl and pyrrolidinyl-9-xanthenylamines which are inhibitors of gastric acid secretion.

  这些化合物是N-哌啶基和吡咯啉基-9-黄色素胺，它们是胃酸分泌抑制剂。
• Pyrazine derivatives
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04041032A1

  公开（公告）日：1977-08-09

  Pyrazine derivatives by the formula ##STR1## are disclosed. In the above formula, R.sup.1 and R.sup.2, which may be the same or different, each represents a hydrogen atom, a halogen atom, a hydroxy group, a lower alkoxy group, a phenyl lower alkoxy group, a phenoxy group, a mercapto group, a lower alkylthio group, a phenyl lower alkylthio group, a phenylthio group, an amino group, a substituted amino group, a lower alkyl group, a carbamoyl group or a sulfamoyl group; R.sup.3 represents a lower alkoxy group; R.sup.4, R.sup.5, and R.sup.6, which may be the same or different, each represents a hydrogen atom, a lower alkyl group, a cycloalkyl group, a phenyl lower alkyl group, or a phenyl group; and A represents a lower alkylene group; said R.sup.4 and A, said R.sup.5 and A, said R.sup.4 and R.sup.5, or said R.sup.5 and R.sup.6 may form a 5-membered or 6-membered nitrogen-containing heterocyclic ring which may further contain a hetero-atom together with nitrogen atom, and the pharmacologically acceptable non-toxic salts thereof. The compounds of this invention have a strong and selective antiematic activity and an effect of stimulating the gastric motility.

  公开了公式为##STR1##的吡嗪衍生物。在上述公式中，R.sup.1和R.sup.2，可以相同也可以不同，每个代表氢原子、卤素原子、羟基、较低的烷氧基、苯基较低的烷氧基、苯氧基、巯基、较低的烷基硫基、苯基较低的烷基硫基、苯硫基、氨基、取代氨基、较低的烷基、氨基甲酰基或磺胺基；R.sup.3代表较低的烷氧基；R.sup.4、R.sup.5和R.sup.6，可以相同也可以不同，每个代表氢原子、较低的烷基、环烷基、苯基较低的烷基或苯基；A代表较低的烷基烯基；所述的R.sup.4和A、所述的R.sup.5和A、所述的R.sup.4和R.sup.5，或所述的R.sup.5和R.sup.6可以形成一个含氮的5-或6-成员杂环环，该环可能进一步与氮原子一起含有一个杂原子，并且其药理学上可接受的无毒盐。本发明的化合物具有强大且选择性的抗呕吐活性，以及刺激胃动力的作用。
• N-(1-substituted-3-pyrrolidinyl)-4-quinolinecarboxamides
  申请人：A. H. Robins Company, Incorporated

  公开号：US04002757A1

  公开（公告）日：1977-01-11

  Novel N-(1-substituted-3-pyrrolidinyl)-1-naphthalene and 4-quinolinecarboxamides of the formula: ##STR1## wherein R is lower cycloalkyl, R.sup.1 is hydrogen, lower alkyl or aryl, R.sup.2 is hydrogen, lower-alkyl, halogen, lower-alkoxy, amino or nitro, R.sup.3 is hydrogen, lower-alkyl, halogen, lower-alkoxy, amino or nitro, Y is carbon or nitrogen and pharmaceutically acceptable acid addition salts thereof having anti-emetic properties are disclosed.

  本发明揭示了具有抗恶心作用的以下化学式的新型N-(1-取代-3-吡咯烷基)-1-萘和4-喹啉羧酰胺：##STR1## 其中R为较低的环烷基，R.sup.1为氢，较低的烷基或芳基，R.sup.2为氢，较低烷基，卤素，较低烷氧基，氨基或硝基，R.sup.3为氢，较低烷基，卤素，较低烷氧基，氨基或硝基，Y为碳或氮，以及其药学上可接受的酸盐。
• Substituted 2,3-alkylene bis (oxy) benzamides and derivatives
  申请人：Siociete d'Etudes Scientifiques et Industrielles de L'ile-de-France

  公开号：US04255580A1

  公开（公告）日：1981-03-10

  Novel substituted 2,3-alkylene bis (oxy) benzamides and derivatives thereof are disclosed. Also disclosed is a method for producing said compounds. The compounds have anxiolytic, psychostimulant, disinhibiting and thymoanaleptic properties useful therapeutically in the psychofunctional field, particularly in gastro-enterology, cardiology, urology, rheumatology and gynaecology.

  本发明揭示了新型的2,3-烷基双（氧）苯甲酰胺及其衍生物。同时，还揭示了一种制备该化合物的方法。这些化合物具有抗焦虑、精神兴奋、解抑制和情绪提升的特性，在心理功能领域中有治疗作用，特别是在胃肠病学、心脏病学、泌尿学、风湿病学和妇科学中有用。