N-(pyridin-4-yl)dodecanamide

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(pyridin-4-yl)dodecanamide
• 英文别名: N-pyridin-4-yldodecanamide
• 化学式: C₁₇H₂₈N₂O
• 分子量: 276.422
• InChiKey: JBPUTPOITDFZPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 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-(pyridin-4-yl)dodecanamide 、 碘甲烷 以 甲醇 为溶剂， 反应 18.0h， 以97%的产率得到4-Dodecanoylamino-1-methyl-pyridinium; iodide
  参考文献：
  名称：

  Determination of Critical Micelle Concentration by Hyper-Rayleigh Scattering

  摘要：

  The critical micelle concentration (CMC) of several surfactants that contain an NLO chromophore, either at the hydrocarbon tail, or at the hydrophilic headgroup, or even as a counterion, was determined by hyper-Rayleigh scattering (HRS). In all cases, the HRS signal exhibited a similar variation with surfactant concentration, wherein the CMC is inferred from a rather unprecedented drop in the signal intensity. This drop is attributed to the formation of small pre-micellar aggregates, whose concentrations become negligible above CMC. In addition, a probe molecule, which upon protonation yielded a species with significantly enhanced HRS intensity, was developed and its utility for the determination of the CIVIC of simple fatty acids was demonstrated.

  DOI：

  10.1021/ja029070r
• 作为产物：
  描述：

  4-氨基吡啶 、 月桂酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 以50%的产率得到N-(pyridin-4-yl)dodecanamide
  参考文献：
  名称：

  [EN] ANTIBACTERIAL ADJUVANTS AND APPLICATIONS THEREOF
  [FR] ADJUVANTS ANTIBACTÉRIENS ET LEURS APPLICATIONS

  摘要：

  在某个方面，本文描述了用于治疗对阳离子抗微生物肽具有抗性的革兰氏阴性菌的化合物和方法。例如，在某些实施例中，提供了公式I的化合物。在另一个方面，治疗革兰氏阴性细菌感染包括将阳离子抗微生物蛋白（CAP）与公式I的化合物结合使用。

  公开号：

  WO2022036208A1

文献信息

• [EN] MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES<br/>[FR] MOLÉCULES ET COMPOSITIONS INHIBANT DES BACTÉRIES À GRAM NÉGATIF, ET LEURS UTILISATIONS
  申请人：UNIV PRINCETON

  公开号：WO2015042363A1

  公开（公告）日：2015-03-26

  Antivirulence strategies to combat Pseudomonas aeruginosa, are described. One strategy encompasses synthesis of a series of compounds that inhibit the production of pyocyanin, a redox-active virulence factor produced by this pathogen. A related strategy encompasses synthesis of compounds that inhibit the two P. aeruginosa quorum-sensing receptors, LasR and RhlR, inhibit production of pyocyanin, and inhibit biofilm formation.

  防毒力策略用于对抗铜绿假单胞菌，其中一种策略包括合成一系列化合物，抑制该病原体产生的一种氧化还原活性毒力因子——吡菌素。另一种相关策略包括合成抑制两种铜绿假单胞菌群体感应受体LasR和RhlR的化合物，抑制吡菌素的产生，并抑制生物膜形成。
• Dodecanoic acid derivatives: Synthesis, antimicrobial evaluation and development of one-target and multi-target QSAR models
  作者：Devinder Sarova、Archana Kapoor、Rakesh Narang、Vikramjeet Judge、Balasubramanian Narasimhan

  DOI：10.1007/s00044-010-9383-5

  日期：2011.7

  In this study a series of dodecanoic acid derivatives (1-30) were synthesized and evaluated for in vitro antimicrobial activity against the panel of Gram positive, Gram negative bacterial and fungal strains. 4-Nitro phenyl dodecanoate (4) and quinolin-8-yl dodecanoate (5) emerged as most effective antibacterial agents, and 1-(4-benzylpiperazin-1-yl) dodecan-1-one (15) was found to be the most effective antifungal agent amongst the synthesized dodecanoic acid derivatives. Quantitative structure activity relationship (QSAR) studies performed by the development of one-target and multi-target models indicated that multi-target model was effective in describing the antimicrobial activity of dodecanoic acid derivatives as well demonstrated the importance of topological parameter, zero-order molecular connectivity index ((0)chi).
• Development of Potent Inhibitors of Pyocyanin Production in <i>Pseudomonas aeruginosa</i>
  作者：Laura C. Miller、Colleen T. O’Loughlin、Zinan Zhang、Albert Siryaporn、Justin E. Silpe、Bonnie L. Bassler、Martin F. Semmelhack

  DOI：10.1021/jm5015082

  日期：2015.2.12

  The development of new approaches for the treatment of antimicrobial-resistant infections is an urgent public health priority. The Pseudomonas aeruginosa pathogen, in particular, is a leading source of infection in hospital settings, with few available treatment options. In the context of an effort to develop antivirulence strategies to combat bacterial infection, we identified a series of highly effective small molecules that inhibit the production of pyocyanin, a redox-active virulence factor produced by P. aeruginosa. Interestingly, these new antagonists appear to suppress P. aeruginosa virulence factor production through a pathway that is independent of LasR and RhlR.
• MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES
  申请人：BASSLER Bonnie L.

  公开号：US20160368892A1

  公开（公告）日：2016-12-22

  Antivirulence strategies to combat Pseudomonas aeruginosa , are described. One strategy encompasses synthesis of a series of compounds that inhibit the production of pyocyanin, a redox-active virulence factor produced by this pathogen. A related strategy encompasses synthesis of compounds that inhibit the two P. aeruginosa quorum-sensing receptors, LasR and RhlR, inhibit production of pyocyanin, and inhibit biofilm formation.
• US8952016B2
  申请人：——

  公开号：US8952016B2

  公开（公告）日：2015-02-10