2-Propyl-valeriansaeure-butylamid | 2936-13-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-Propyl-valeriansaeure-butylamid
• 英文别名: Valeramide, N-butyl-2-propyl-；N-butyl-2-propylpentanamide
• CAS: 2936-13-2
• 化学式: C₁₂H₂₅NO
• 分子量: 199.337
• InChiKey: XENQEFYNRCVZDN-UHFFFAOYSA-N

物化性质

• 熔点：
  69.5 °C
• 沸点：
  275.5±8.0 °C(Predicted)
• 密度：
  0.855±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  丙戊酸 在 氯化亚砜 作用下， 以 苯 为溶剂， 生成 2-Propyl-valeriansaeure-butylamid
  参考文献：
  名称：

  Benoit-Guyod,J.-L. et al., Bulletin de la Societe Chimique de France, 1965, p. 1660 - 1661

  摘要：

  DOI：

文献信息

• Characterization of the anticonvulsant profile of valpromide derivatives
  作者：Silvina M Tasso、Sung Ch Moon、Luis E Bruno-Blanch、Guillermina L Estiú

  DOI：10.1016/j.bmc.2004.05.003

  日期：2004.7

  The antiepileptic activity of nine derivatives of valpromide is discussed. They comply with a pharmacophore model that establishes the essential structural and electronic features responsible for the protection against the MES test. The model results from the comparison of 17 structures, using density functional methodologies combined with an active analog approach. The derivatives of valpromide have been tested for anticonvulsant activity in mice. These compounds displayed a phenytoin-like profile, being active in the MES test and inactive in the PTZ test. 4-(Valproylamido)benzenesulfonamide is the most active compound, with an ED50 of 53 mumol/kg and no neurotoxicity at doses up to 1000 mumol/kg. The pharmacological behavior of the drugs points to a sodium channel blocking effect as one of the associated mechanisms. This mechanism was tested positive for N-ethylvalpromide through its competition with the binding of [H-3]batrachotoxin-A-20alpha-benzoate to the voltage-dependent sodium channels from rat brain synaptosomes. (C) 2004 Elsevier Ltd. All rights reserved.
• Benoit-Guyod,J.-L. et al., Bulletin de la Societe Chimique de France, 1965, p. 1660 - 1661
  作者：Benoit-Guyod,J.-L. et al.

  DOI：——

  日期：——