4-(二乙基氨基)-N-(2,6-二甲基苯基)丁酰胺 | 21236-53-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(二乙基氨基)-N-(2,6-二甲基苯基)丁酰胺
• 英文名称: N-(2,6-dimethylphenylcarbamoylpropyl)diethylamine
• 英文别名: W-6603；4-(Diethylamino)-N-(2,6-dimethylphenyl)butanamide
• CAS: 21236-53-3
• 化学式: C₁₆H₂₆N₂O
• 分子量: 262.395
• InChiKey: BZAIZKVUHLRHOJ-UHFFFAOYSA-N

物化性质

• 沸点：
  389.5±30.0 °C(Predicted)
• 密度：
  1.003±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为产物：
  描述：

  4-氯-N-(2,6-二甲基苯基)-丁酰胺 、 二乙胺 以31%的产率得到
  参考文献：
  名称：

  TENTHOREY, P. A.;BLOCK, A. J.;RONFELD, R. A.;MCMASTER, P. D.;BYRNES, E. W+, J. MED. CHEM., 1981, 24, N 7, 798-806

  摘要：

  DOI：

文献信息

• New antiarrhythmic agents. 6. Quantitative structure-activity relationships of aminoxylidides
  作者：Paul A. Tenthorey、Alan J. Block、Robert A. Ronfeld、Paul D. McMaster、Eugene W. Byrnes

  DOI：10.1021/jm00139a007

  日期：1981.7

  The synthesis and pharmacological evaluation of primary and tertiary aminoxylidides with the amino group in the 2-7 position of the acyl chain are described. 2,6-Xylidine was acylated with haloacyl halides and converted to the target compounds by direct amination or by the Gabriel procedure. Alternatively, 2,6-xylidine was coupled with keto acids, and the ketoxylidides were converted to the amines by reductive amination. The target compounds were evaluated in mice both for antiarrhythmic efficacy against chloroform-induced tachycardia and for central nervous system toxicity. Experimentally determined values of partition coefficients and pKa values were used for quantitative structure-activity analyses. While the antiarrhythmic activity could be described as a function of log P alone, the CNS toxicity was best described as a function of both log P and pKa. The results suggest that antiarrhythmic potency can be increased by increasing lipophilicity, while the therapeutic index can be improved by increasing the pKa.
• MICELLE FOR SOLUBILIZING A SPARINGLY WATER-SOLUBLE INGREDIENT AND SOLUTION COMPRISING THE SAME
  申请人：TEIKA PHARMACEUTICAL CO., LTD.

  公开号：US20210137836A1

  公开（公告）日：2021-05-13

  The present invention provides a micelle comprising an anionic micelle and a protecting agent surrounding the anionic micelle, the anionic micelle being formed from, as a structural unit, an ingredient that has a functional group capable of being anionized under basic conditions and has anionic micelle-forming ability, the protecting agent protecting the anionic micelle. The present invention also provides a micelle comprising a cationic micelle and a protecting agent surrounding the cationic micelle, the cationic micelle being formed from, as a structural unit, an ingredient that has a functional group capable of being cationized under acidic conditions and has cationic micelle-forming ability, the protecting agent protecting the cationic micelle.
• TENTHOREY, P. A.;BLOCK, A. J.;RONFELD, R. A.;MCMASTER, P. D.;BYRNES, E. W+, J. MED. CHEM., 1981, 24, N 7, 798-806
  作者：TENTHOREY, P. A.、BLOCK, A. J.、RONFELD, R. A.、MCMASTER, P. D.、BYRNES, E. W+

  DOI：——

  日期：——