(4-ethylamino-phenyl)carbamic acid tert-butyl ester | 1111628-40-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-ethylamino-phenyl)carbamic acid tert-butyl ester
• 英文别名: tert-Butyl (4-(ethylamino)phenyl)carbamate；tert-butyl N-[4-(ethylamino)phenyl]carbamate
• CAS: 1111628-40-0
• 化学式: C₁₃H₂₀N₂O₂
• 分子量: 236.314
• InChiKey: MDDYXXLDJHQUMK-UHFFFAOYSA-N

物化性质

• 熔点：
  42-44 °C
• 沸点：
  315.9±25.0 °C(Predicted)
• 密度：
  1.102±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  甲磺酸甲酯 、 (4-ethylamino-phenyl)carbamic acid tert-butyl ester 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 以37%的产率得到[4-(ethyl-methylamino)phenyl]carbamic acid tert-butyl ester
  参考文献：
  名称：

  Guanidine and 2-Aminoimidazoline Aromatic Derivatives as α₂-Adrenoceptor Ligands: Searching for Structure−Activity Relationships

  摘要：

  In this paper, we report the synthesis of three new 2-aminoimidazoline (compounds 4b, 5b, and 6b) and three new guanidine derivatives (compounds 7b, 8b, and 9b) as potential alpha(2)-adrenoceptor antagonists for the treatment of depression. Their pharmacological profile was evaluated in vitro in human brain tissue and compared to the potential antidepressant 1 and the agonists 2 and 3. All new substrates were evaluated by in vitro functional [S-35]GTP gamma S binding assays in human prefrontal cortex to determine their agonistic or antagonistic activity. Compound 8b was found to be an antagonist in vitro and was subjected to in vivo microdialysis experiments in rats. Moreover, a new synthesis of the precursor amines for compounds 4b-9b is presented.

  DOI：

  10.1021/jm800838r
• 作为产物：
  描述：

  特定基氨基甲酸脂酶 、 甲磺酸乙酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 以34%的产率得到(4-ethylamino-phenyl)carbamic acid tert-butyl ester
  参考文献：
  名称：

  Guanidine and 2-Aminoimidazoline Aromatic Derivatives as α₂-Adrenoceptor Ligands: Searching for Structure−Activity Relationships

  摘要：

  In this paper, we report the synthesis of three new 2-aminoimidazoline (compounds 4b, 5b, and 6b) and three new guanidine derivatives (compounds 7b, 8b, and 9b) as potential alpha(2)-adrenoceptor antagonists for the treatment of depression. Their pharmacological profile was evaluated in vitro in human brain tissue and compared to the potential antidepressant 1 and the agonists 2 and 3. All new substrates were evaluated by in vitro functional [S-35]GTP gamma S binding assays in human prefrontal cortex to determine their agonistic or antagonistic activity. Compound 8b was found to be an antagonist in vitro and was subjected to in vivo microdialysis experiments in rats. Moreover, a new synthesis of the precursor amines for compounds 4b-9b is presented.

  DOI：

  10.1021/jm800838r

文献信息

• [EN] AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS<br/>[FR] DERIVES DE CYANURE D'AZOLE METHYLIDENE ET LEUR UTILISATION COMME MODULATEURS DE PROTEINE KINASE
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2003106455A1

  公开（公告）日：2003-12-24

  The present invention is related to azole derivatives notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such azole derivatives. Said azole derivatives are modulators of the protein kinase signalling pathways, particularly the one involving c-Jun N-terminal kinase and/or Glycogen Kinase Synthase 3. The present invention is furthermore related to novel azole derivatives as well as to methods of their preparation. X is O, S or NR0, with R0 being H or an unsubstituted or substituted C1 -C6 alkyl; A is 2-pyridyl, 3-pyridyl, 4-pyridyl, pyridazinyl, pyrimidinyl, pyrazinyl or triazinyl group.

  本发明涉及唑衍生物，尤其是用作药物活性化合物的唑衍生物，以及包含这种唑衍生物的药物制剂。所述唑衍生物是蛋白激酶信号通路的调节剂，尤其是涉及c-Jun N端激酶和/或糖原合酶3的那一种。本发明还涉及新颖的唑衍生物以及它们的制备方法。X是O、S或NR0，其中R0是H或未取代或取代的C1-C6烷基；A是2-吡啶基，3-吡啶基，4-吡啶基，吡啶唑基，吡唑啉基，吡嗪基或三嗪基团。
• CYCLOHEXYLAMINES, PHENYLAMINES AND USES THEREOF
  申请人：Lin Shuo

  公开号：US20100048637A1

  公开（公告）日：2010-02-25

  Compounds having the formula I, their methods of synthesis, and pharmaceutically acceptable salts of certain of them are provided in which the variables have the definitions described herein. Compositions including the compounds having the formula I-A in which the variables have the definitions described herein, and methods of using the compositions for the treatment of certain diseases mediated by the up-regulation of Smo are also disclosed.

  本专利提供了具有I式化学式的化合物、它们的合成方法和某些化合物的药学可接受盐，其中变量的定义如本文所述。还公开了包括具有I-A式化学式的化合物的组合物，其中变量的定义如本文所述，并且公开了使用这些组合物治疗由Smo上调介导的某些疾病的方法。
• Azole methylidene cyanide derivatives and their use as protein kinase modulators
  申请人：Gaillard Pascale

  公开号：US20070123530A1

  公开（公告）日：2007-05-31

  An azole derivative of formula (I) a medicament that contains the azole derivative of formula (I), a method of treating a disease with the azole derivative of formula (I), and a method of preparing the azole derivative of formula (I).

  一种公式（I）的唑类衍生物药物，其中包含公式（I）的唑类衍生物，使用公式（I）的唑类衍生物治疗疾病的方法以及制备公式（I）的唑类衍生物的方法。
• AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1527070A1

  公开（公告）日：2005-05-04
• US7465736B2
  申请人：——

  公开号：US7465736B2

  公开（公告）日：2008-12-16