N-[2-(dimethylamino)ethyl]-4-(4-methylphenyl)-1-piperazinecarboxamide | 117518-20-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-[2-(dimethylamino)ethyl]-4-(4-methylphenyl)-1-piperazinecarboxamide
• 英文别名: N-[2-(dimethylamino)ethyl]-4-(4-methylphenyl)piperazine-1-carboxamide
• CAS: 117518-20-4
• 化学式: C₁₆H₂₆N₄O
• 分子量: 290.409
• InChiKey: XXYRQOAFNOQOER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  38.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(4-甲基苯基)哌嗪 、 N,N-二甲基乙二胺 、 N,N'-羰基二咪唑 以 四氢呋喃 为溶剂， 以1.5 g (47%)的产率得到N-[2-(dimethylamino)ethyl]-4-(4-methylphenyl)-1-piperazinecarboxamide
  参考文献：
  名称：

  4-aryl-N-(alkylaminoalkyl, heterocyclicamino and

  摘要：

  该专利描述了一种化合物的结构，用于对抗动物和人类中与过敏性休克敏感性相关的过敏反应的方法。

  公开号：

  US04960776A1

文献信息

• 4-aryl-N-(alkylaminoalkyl, heterocyclicamino and
  申请人：A. H. Robins Company, Inc.

  公开号：US04960776A1

  公开（公告）日：1990-10-02

  Novel 4-aryl-N-[2-(dialkylamino and heterocyclicamino)alkyl]-1-piperazinecarboxamides of the formula: ##STR1## wherein B is oxygen or sulfur; Ar is selected from ##STR2## or 2, 3 or 4-pyridyl; X is selected from hydrogen, halogen, loweralkyl, loweralkoxy, amino, dimethylamino, nitro, trifluoromethyl, cyano, acetyl, acetylamino, aminocarbonyl, carboxy or loweralkylcarboxylic acid ester; Y is selected from hydrogen, halogen, loweralkyl, loweralkoxy, nitro, trifluoromethyl, cyano, acetylamino, aminocarbonyl, carboxy or loweralkyl carboxylic acid ester; Z is selected from hydrogen, loweralkyl or loweralkoxy; Q is selected from ##STR3## m is 1 to 3 inclusive; n is zero or 1; p is zero to 3 inclusive; R.sup.1, R.sup.2 and R.sup.3 are loweralkyl and may be the same or different, or R.sup.1 and R.sup.2 taken together with the adjacent nitrogen atom may be form a heterocyclic residue; and the pharmaceutically acceptable salts thereof are disclosed. The compounds are useful in a method of combating allergic response associated with anaphylactic sensitivity in animals and humans.

  该专利描述了一种化合物的结构，用于对抗动物和人类中与过敏性休克敏感性相关的过敏反应的方法。
• 4-Aryl-N-[2-(dialkylamino and heterocyclicamino) alkyl]-1-piperazinecarboxamides and their use as anti allergy agents
  申请人：A.H. ROBINS COMPANY, INCORPORATED

  公开号：EP0277725A2

  公开（公告）日：1988-08-10

  Novel 4-aryl-N-[2-(dialkylamino and heterocyclic­amino)alkyl]-1-piperazinecarboxamides of the formula: wherein B is oxygen or sulfur; Ar is selected from Or 2, 3 or 4-pyridyl; X is selected from hydrogen, halogen, loweralkyl, loweralkoxy, amino, dimethylamino, nitro, trifluoromethyl, cyano, acetyl, acetylamino, aminocarbonyl, carboxy or loweralkylcarboxylic acid ester; Y is selected from hydrogen, halogen, loweralkyl, loweralkoxy, nitro, trifluoromethyl, cyano, acetylamino, aminocarbonyl, carboxy or loweralkyl carboxylic acid ester; Z is selected from hydrogen, loweralkyl or loweralkoxy; Q is selected from m is 1 to 3 inclusive; n is zero or 1; p is zero to 3 inclusive; R¹, R² and R³ are loweralkyl and may be the same or different, or R¹ and R² taken together with the adjacent nitrogen atom may form a heterocyclic residue; and the pharmaceutically acceptable salts thereof are disclosed. The compounds are useful in a method of combating allergic response associated with anaphylactic sensitivity in animals and humans.

  式中的新型 4-芳基-N-[2-(二烷基氨基和杂环氨基)烷基]-1-哌嗪甲酰胺： 其中 B 是氧或硫；Ar 选自 或2、3或4-吡啶基；X选自氢、卤素、低级烷基、低级烷氧基、氨基、二甲基氨基、硝基、三氟甲基、氰基、乙酰基、乙酰氨基、氨基羰基、羧基或低级烷基羧酸酯；Y 选自氢、卤素、低级烷基、低级烷氧基、硝基、三氟甲基、氰基、乙酰氨基、 氨基羰基、羧基或低级烷基羧酸酯； Z 选自氢、低级烷基或低级烷氧基； Q 选自 R¹、R²和R³为低级烷基，可以相同或不同，或者R¹和R²与相邻的氮原子一起可形成杂环残基；以及公开了其药学上可接受的盐。这些化合物可用于防治动物和人类与过敏反应相关的过敏反应。
• WALSH, DAVID A.;GREEN, JERRY B.;FRANZYSHEN, STEPHEN K.;NOLAN, JOSEPH C.;Y+, J. MED. CHEM., 33,(1990) N, C. 2028-2032
  作者：WALSH, DAVID A.、GREEN, JERRY B.、FRANZYSHEN, STEPHEN K.、NOLAN, JOSEPH C.、Y+

  DOI：——

  日期：——
• WALSH, DAVID A.;CALE, ALBERT D. (JR)
  作者：WALSH, DAVID A.、CALE, ALBERT D. (JR)

  DOI：——

  日期：——
• US4960776A
  申请人：——

  公开号：US4960776A

  公开（公告）日：1990-10-02