辛酰脲 | 105673-83-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: 辛酰脲
• 英文名称: Octanoylurea
• 英文别名: Caprylsaeure-ureid；Octanoyl-harnstoff；N-carbamoyloctanamide
• CAS: 105673-83-4
• 化学式: C₉H₁₈N₂O₂
• 分子量: 186.254
• InChiKey: POXQLKNLEMUXAX-UHFFFAOYSA-N

物化性质

• 熔点：
  191.3 °C
• 密度：
  1.013±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  72.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  辛酸乙酯 、 尿素 在 吡啶 、 sodium ethanolate 作用下， 生成 辛酰脲
  参考文献：
  名称：

  Stendal, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1933, vol. 196, p. 1810

  摘要：

  DOI：

文献信息

• Potent Anticonvulsant Urea Derivatives of Constitutional Isomers of Valproic Acid
  作者：Jakob Avi Shimshoni、Meir Bialer、Bogdan Wlodarczyk、Richard H. Finnell、Boris Yagen

  DOI：10.1021/jm7009233

  日期：2007.12.13

  Valproic acid (VPA) is a major antiepileptic drug (AED); however, its use is limited by two life-threatening side effects: teratogenicity and hepatotoxicity. Several constitutional isomers of VPA and their amide and urea derivatives were synthesized and evaluated in three different anticonvulsant animal models and a mouse model for AED-induced teratogenicity. The urea derivatives of three VPA constitutional isomers propylisopropylacetylurea, diisopropylacetylurea, and 2-ethyl-3-methyl-pentanoylurea displayed a broad spectrum of anticonvulsant activity in rats with a clear superiority over their corresponding amides and acids. Enanatiomers of propylisopropylacetylurea and propylisopropylacetamide revealed enantioselective anticonvulsant activity, whereas only enantiomers of propylisopropylacetylurea displayed enantioselective teratogenicity. These potent urea derivatives caused neural tube defects, but only at doses markedly exceeding their effective dose, whereas VPA showed no separation between its anticonvulsant activity and teratogenicity. The broad spectrum of anticonvulsant activity of the urea derivatives coupled with their wide safety margin make them potential, candidates to become new, potent AEDs.
• NEW PRODUCT
  申请人：Höganäs AB (publ)

  公开号：EP3145660A1

  公开（公告）日：2017-03-29
• [EN] NEW PRODUCT<br/>[FR] NOUVEAU PRODUIT
  申请人：HOEGANAES AB PUBL

  公开号：WO2015177300A1

  公开（公告）日：2015-11-26

  The present invention relates to a metal powder composition for making compacted parts, the metal powder composition comprising (i) sponge iron particles or sponge iron-based particles, and (ii) a lubricant comprising at least two different fatty acid amides.
• Stendal, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1933, vol. 196, p. 1810
  作者：Stendal

  DOI：——

  日期：——