N-[2-(dimethylamino)ethyl]-4-(4-nitrophenyl)-1-piperazinecarboxamide | 117518-23-7

• 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-nitrophenyl)-1-piperazinecarboxamide
• 英文别名: N-[2-(dimethylamino)ethyl]-4-(4-nitrophenyl)piperazine-1-carboxamide
• CAS: 117518-23-7
• 化学式: C₁₅H₂₃N₅O₃
• 分子量: 321.379
• InChiKey: UXVMHPDFGRRXPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  84.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[2-(dimethylamino)ethyl]-4-(4-nitrophenyl)-1-piperazinecarboxamide 在 platinum(IV) oxide 氢气 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 17.0h， 生成 N-[2-(二甲氨基)乙基]-4-(4-{[4-(5-氟-1H-吲哚-3-基)嘧啶-2-基]氨基}苯基)哌嗪-1-甲酰胺三氟乙酸
  参考文献：
  名称：

  WO2007/149427

  摘要：

  公开号：
• 作为产物：
  描述：

  1-(4-硝基苯基)哌嗪 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.67h， 生成 N-[2-(dimethylamino)ethyl]-4-(4-nitrophenyl)-1-piperazinecarboxamide
  参考文献：
  名称：

  WO2007/149427

  摘要：

  公开号：

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。
• Tyrosine Kinase Inhibitors
  申请人：Kozina Ekaterina S.

  公开号：US20100267707A1

  公开（公告）日：2010-10-21

  The present invention relates to 4-indol-3-yl-N-phenylpyrimidin-2-amine derivatives, that are useful for treating cellular proliferative diseases, for treating disorders associated with MET activity, and for inhibiting the receptor tyrosine kinase MET. The invention also related to compositions which comprise these compounds, and methods of using them to treat cancer in mammals.

  本发明涉及4-吲哚-3-基-N-苯基嘧啶-2-胺衍生物，该衍生物对治疗细胞增殖性疾病、治疗与MET活性相关的疾病以及抑制受体酪氨酸激酶MET具有用处。本发明还涉及包含这些化合物的组合物，以及使用它们治疗哺乳动物癌症的方法。
• 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。
• Synthesis and antiallergy activity of N-[2-(dimethylamino)ethyl]-4-aryl-1-piperazinecarboxamide derivatives
  作者：David A. Walsh、Jerry B. Green、Stephen K. Franzyshen、Joseph C. Nolan、John M. Yanni

  DOI：10.1021/jm00169a037

  日期：1990.7

  A series of N-[2-(dimethylamino)ethyl]-4-aryl-1-piperazinecarboxamides was synthesized and evaluated for antiallergy activity. Several derivatives had activity in the passive foot anaphylaxis (PFA) assay, an IgE-mediated model useful in the detection of compounds possessing antiallergic activity, but no derivative tested had activity at 10 mg/kg in the guinea pig anaphylaxis (GPA) assay. One analogue, N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1-piperazinecarboxamide , had an IC50 = 310 nM for inhibition of tritiated mepyramine binding to H1 histaminic receptors isolated from guinea pig cerebral cortex.
• 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：——