N-(4-pyridyl)-2-ethylhexaneamide | 64690-40-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(4-pyridyl)-2-ethylhexaneamide
• 英文别名: N-(4-pyridyl)-2-ethylhexanamide；2-ethyl-N-pyridin-4-ylhexanamide
• CAS: 64690-40-0
• 化学式: C₁₃H₂₀N₂O
• 分子量: 220.315
• InChiKey: UTROSVXTLRBTDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(4-pyridyl)-2-ethylhexaneamide 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 7.0h， 生成 N-(2-ethylhexyl)-4-pyridinamine
  参考文献：
  名称：

  Bispyridinamines: a new class of topical antimicrobial agents as inhibitors of dental plaque

  摘要：

  A series of N,N'-polyalkylenebis[4-(substituted-amino)pyridines] has been prepared, and members have been evaluated as potential anti-dental plaque agents. From among the most active members of the series, one compound, N,N'-[1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene]bis(1-octanam ine) dihydrochloride, octenidine, was selected as a candidate for clinical study.

  DOI：

  10.1021/jm00377a014
• 作为产物：
  描述：

  4-氨基吡啶 、 2-乙基己酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 N-(4-pyridyl)-2-ethylhexaneamide
  参考文献：
  名称：

  Bispyridinamines: a new class of topical antimicrobial agents as inhibitors of dental plaque

  摘要：

  A series of N,N'-polyalkylenebis[4-(substituted-amino)pyridines] has been prepared, and members have been evaluated as potential anti-dental plaque agents. From among the most active members of the series, one compound, N,N'-[1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene]bis(1-octanam ine) dihydrochloride, octenidine, was selected as a candidate for clinical study.

  DOI：

  10.1021/jm00377a014

文献信息

• Antimicrobial bis-[4-(substituted-amino)-1-pyridinium]alkanes
  申请人：Sterling Drug Inc.

  公开号：US04206215A1

  公开（公告）日：1980-06-03

  Bis-[4-(R-amino)-1-pyridinium]alkanes are prepared by reacting a 4-(R-amino)pyridine with an appropriate disubstituted alkane. The compounds are useful as antimicrobial agents. Certain species are also useful as dental plaque-preventive agents.

  双[4-(R-氨基)-1-吡啶烷]脂肪烃是通过将4-(R-氨基)吡啶与适当的二取代脂肪烃反应来制备的。这些化合物作为抗菌剂很有用。某些物种作为牙齿菌斑预防剂也很有用。
• BAILEY, D. M.;DEGRAZIA, C. G.;HOFF, S. J.;SCHULENBERG, P. L.;OCONNOR, J. +, J. MED. CHEM., 1984, 27, N 11, 1457-1464
  作者：BAILEY, D. M.、DEGRAZIA, C. G.、HOFF, S. J.、SCHULENBERG, P. L.、OCONNOR, J. +

  DOI：——

  日期：——
• US4206215A
  申请人：——

  公开号：US4206215A

  公开（公告）日：1980-06-03
• Bispyridinamines: a new class of topical antimicrobial agents as inhibitors of dental plaque
  作者：Denis M. Bailey、C. George DeGrazia、Stephanie J. Hoff、Patsy L. Schulenberg、John R. O'Connor、Donald A. Paris、Andrew McKenzie Slee

  DOI：10.1021/jm00377a014

  日期：1984.11

  A series of N,N'-polyalkylenebis[4-(substituted-amino)pyridines] has been prepared, and members have been evaluated as potential anti-dental plaque agents. From among the most active members of the series, one compound, N,N'-[1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene]bis(1-octanam ine) dihydrochloride, octenidine, was selected as a candidate for clinical study.