N-(4-吡啶基甲基)甘氨酸乙酯 | 88720-63-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N-(4-吡啶基甲基)甘氨酸乙酯
• 英文名称: ethyl (pyridin-4-ylmethyl)glycinate
• 英文别名: ethyl [(pyridin-4-ylmethyl)amino]acetate；N-(4-pyridinylmethyl)glycine ethyl ester；ethyl 2-(pyridin-4-ylmethylamino)acetate
• CAS: 88720-63-2
• 化学式: C₁₀H₁₄N₂O₂
• mdl: MFCD11116403
• 分子量: 194.233
• InChiKey: PXTPPHVRRFSIRE-UHFFFAOYSA-N

物化性质

• 沸点：
  127 °C(Press: 0.4 Torr)
• 密度：
  1.095±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(4-吡啶基甲基)甘氨酸乙酯 在 氢氧化钾 、 水 作用下， 以 异丙醇 为溶剂， 反应 6.0h， 以43%的产率得到N-(4-吡啶基甲基)甘氨酸
  参考文献：
  名称：

  Kira, Aiko; Umeyama, Tomokazu; Matano, Yoshihiro, Journal of the American Chemical Society, 2009, vol. 131, p. 3198 - 3200

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲氨基吡啶 、 氯乙酸乙酯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以87%的产率得到N-(4-吡啶基甲基)甘氨酸乙酯
  参考文献：
  名称：

  Kira, Aiko; Umeyama, Tomokazu; Matano, Yoshihiro, Journal of the American Chemical Society, 2009, vol. 131, p. 3198 - 3200

  摘要：

  DOI：

文献信息

• Cs₂CO₃-Promoted Direct<i>N</i>-Alkylation: Highly Chemoselective Synthesis of<i>N</i>-Alkylated Benzylamines and Anilines
  作者：Juan-Carlos Castillo、Jessica Orrego-Hernández、Jaime Portilla

  DOI：10.1002/ejoc.201600549

  日期：2016.8

  Herein is described an efficient and chemoselective method for the synthesis of diversely substituted secondary amines in yields up to 98 %. Direct mono-N-alkylation of primary benzylamines and anilines with a wide range of alkyl halides is promoted by a cesium base in the absence of any additive or catalyst. The basicity and solubility of cesium carbonate in anhydrous N,N-dimethylformamide not only

  本文描述了一种以高达 98% 的产率合成多种取代的仲胺的有效和化学选择性方法。在没有任何添加剂或催化剂的情况下，铯碱促进了伯苄胺和苯胺与各种烷基卤的直接单-N-烷基化。碳酸铯在无水 N,N-二甲基甲酰胺中的碱性和溶解性不仅能够实现伯胺的单-N-烷基化，而且还能抑制所需胺的不希望的二烷基化。
• Towards Gram-negative antivirulence drugs: New inhibitors of HldE kinase
  作者：Nicolas Desroy、François Moreau、Sophia Briet、Géraldine Le Fralliec、Stephanie Floquet、Lionel Durant、Vanida Vongsouthi、Vincent Gerusz、Alexis Denis、Sonia Escaich

  DOI：10.1016/j.bmc.2008.12.021

  日期：2009.2

  Gram-negative bacteria lacking heptoses in their lipopolysaccharide (LPS) display attenuated virulence and increased sensitivity to human serum and to some antibiotics. Thus inhibition of bacterial heptose synthesis represents an attractive target for the development of new antibacterial agents. HldE is a bifunctional enzyme involved in the synthesis of bacterial heptoses. Development of a biochemical assay suitable for high-throughput screening allowed the discovery of inhibitors 1 and 2 of HldE kinase. Study of the structure-activity relationship of this series of inhibitors led to highly potent compounds. (c) 2008 Elsevier Ltd. All rights reserved.
• Discovery, synthesis and biochemical profiling of purine-2,6-dione derivatives as inhibitors of the human poly(A)-selective ribonuclease Caf1
  作者：Gopal P. Jadhav、Ishwinder Kaur、Maryati Maryati、Blessing Airhihen、Peter M. Fischer、G. Sebastiaan Winkler

  DOI：10.1016/j.bmcl.2015.07.095

  日期：2015.10

  Eukaryotic mRNA contains a 3' poly(A) tail, which plays important roles in the regulation of mRNA stability and translation. Well-characterized enzymes involved in the shortening of the poly(A) tail include the multi-subunit Ccr4-Not deadenylase, which contains the Caf1 (Pop2) and Ccr4 catalytic components, and poly(A)-specific ribonuclease (PARN). Two Mg2+ ions present in the active sites of these ribonucleases are required for RNA cleavage. Here, we report the discovery, synthesis and biochemical profiling of purine-2,6-dione derivatives as (sub) micromolar inhibitors of Caf1. (C) 2015 The Authors. Published by Elsevier Ltd.
• Belgodere, Elena; Bossio, Ricardo; Marcaccini, Stefano, Heterocycles, 1985, vol. 23, # 2, p. 349 - 355
  作者：Belgodere, Elena、Bossio, Ricardo、Marcaccini, Stefano、Parti, Sandro、Pepino, Roberto

  DOI：——

  日期：——
• BELGODERE, E.;BOSSIO, R.;MARCACCINI, S.;PARTI, S.;PEPINA, R., HETEROCYCLES, 1985, 23, N 2, 349-355
  作者：BELGODERE, E.、BOSSIO, R.、MARCACCINI, S.、PARTI, S.、PEPINA, R.

  DOI：——

  日期：——