N-(1-乙酰基-3-甲基丁基)-苯甲酰胺 | 21709-70-6

• 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: N-(1-乙酰基-3-甲基丁基)-苯甲酰胺
• 英文名称: (+/-)-3-benzamido-5-methyl-2-hexanone
• 英文别名: N-Benoyl-Derivat d. 5-Methyl-3-amino-hexanon-(2)；N-(5-Methyl-2-oxohexan-3-YL)benzamide
• CAS: 21709-70-6
• 化学式: C₁₄H₁₉NO₂
• 分子量: 233.31
• InChiKey: WUHSVZXHYBMMIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  N-(1-乙酰基-3-甲基丁基)-苯甲酰胺 在 盐酸 作用下， 反应 12.0h， 以99%的产率得到3-氨基-5-甲基-己烷-2-酮
  参考文献：
  名称：

  Pyrrolomorphinans as δ Opioid Receptor Antagonists. The Role of Steric Hindrance in Conferring Selectivity

  摘要：

  A series of 2',3'-disubstituted pyrrolomorphinans (5a-i) were synthesized to determine the role of steric hindrance at mu and kappa receptors in promoting delta opioid receptor antagonist selectivity. In smooth muscle preparations, five members of the series (5a-c,e,f) possessed K-e values in the range 2-15 nM and were delta selective. Since the unsubstituted analogue 4 possessed delta antagonist potency of similar magnitude, but was not delta selective, it is suggested that the 2',3'-substitution confers delta selectivity by hindering the interaction of the pharmacophore at mu and kappa receptors, while not affecting delta receptors.

  DOI：

  10.1021/jm970189y
• 作为产物：
  描述：

  benzamidoacetone 、 氯代异丁烷 在 氨 、 potassium amide 作用下， 生成 N-(1-乙酰基-3-甲基丁基)-苯甲酰胺
  参考文献：
  名称：

  Sekiya,M. et al., Chemical and pharmaceutical bulletin, 1970, vol. 18, p. 2074 - 2080

  摘要：

  DOI：

文献信息

• New modification of the Dakin-West reaction
  作者：N. I. Aronova、N. N. Makhova、M. P. Unanyan、G. V. Kondrat'eva、N. A. Rodionova、S. I. Zav'yalov

  DOI：10.1007/bf00903395

  日期：1968.11
• FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME
  申请人：MARS, INCORPORATED

  公开号：US20180168208A1

  公开（公告）日：2018-06-21

  A flavor composition comprising at least one nucleotide derivative and/or at least one transmembrane compound that modulates, increases and/or enhances the activity of an umami receptor is provided that can be used to enhance the umami taste and/or palatability of food products. In certain, non-limiting embodiments, the flavor composition comprises at least one nucleotide derivative and/or at least one transmembrane compound, optionally at least one nucleotide, optionally at least one first amino acid, optionally at least one second amino acid.
• Pyrrolomorphinans as δ Opioid Receptor Antagonists. The Role of Steric Hindrance in Conferring Selectivity
  作者：F. Farouz-Grant、P. S. Portoghese

  DOI：10.1021/jm970189y

  日期：1997.6.1

  A series of 2',3'-disubstituted pyrrolomorphinans (5a-i) were synthesized to determine the role of steric hindrance at mu and kappa receptors in promoting delta opioid receptor antagonist selectivity. In smooth muscle preparations, five members of the series (5a-c,e,f) possessed K-e values in the range 2-15 nM and were delta selective. Since the unsubstituted analogue 4 possessed delta antagonist potency of similar magnitude, but was not delta selective, it is suggested that the 2',3'-substitution confers delta selectivity by hindering the interaction of the pharmacophore at mu and kappa receptors, while not affecting delta receptors.
• Sekiya,M. et al., Chemical and pharmaceutical bulletin, 1970, vol. 18, p. 2074 - 2080
  作者：Sekiya,M. et al.

  DOI：——

  日期：——