ethyl [(pyridin-3-ylmethyl)amino]acetate | 81363-80-6

• 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
• 英文名称: ethyl [(pyridin-3-ylmethyl)amino]acetate
• 英文别名: Ethyl (pyridin-3-ylmethyl)glycinate；ethyl 2-(pyridin-3-ylmethylamino)acetate
• CAS: 81363-80-6
• 化学式: C₁₀H₁₄N₂O₂
• mdl: MFCD11116465
• 分子量: 194.233
• InChiKey: KMURZYBMCVUBNG-UHFFFAOYSA-N

物化性质

• 沸点：
  130 °C(Press: 0.2 Torr)
• 密度：
  1.095±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 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：

  ethyl [(pyridin-3-ylmethyl)amino]acetate 在 盐酸 、 sodium ethanolate 作用下， 以 四氢呋喃 、 乙醇 、 水 、 xylene 为溶剂， 反应 56.0h， 生成 ethyl 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-imidazole-4-carboxylate
  参考文献：
  名称：

  Belgodere, Elena; Bossio, Ricardo; Marcaccini, Stefano, Heterocycles, 1985, vol. 23, # 2, p. 349 - 355

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氨甲基吡啶 、 溴乙酸乙酯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 ethyl [(pyridin-3-ylmethyl)amino]acetate
  参考文献：
  名称：

  PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIABETES

  摘要：

  提供一种新型化合物，具有糖原合成酶激活能力，但对PPAR受体的激活程度较低且具有高度安全性。提供的化合物由以下一般式(I)或其药学上可接受的盐表示：其中Ar1代表以下环之一(II)和(III)：其中R2代表烷基基团，R3代表氢原子或烷基基团，R1代表以下取代基之一(IV)和(V)：

  公开号：

  US20160046592A1

文献信息

• 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, 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：——
• ——
  作者：SUH J. T.、 SKILES J. W.、 WILLIAMS B. E.、 SCHWAB A.

  DOI：——

  日期：——
• PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIABETES
  申请人：Ajinomoto Co., Inc.

  公开号：US20160046592A1

  公开（公告）日：2016-02-18

  An object is to provide a novel compound which has a glycogen synthase activation ability, but activates a receptor PPAR to a low degree and is highly safe. Provided is a compound represented by the following general formula (I) or a pharmaceutically acceptable salt thereof: wherein Ar 1 represents any one of the following rings (II) and (III): wherein R 2 represents an alkyl group, and R 3 represents a hydrogen atom or an alkyl group, and R 1 represents any one of the following substituents (IV) and (V):

  提供一种新型化合物，具有糖原合成酶激活能力，但对PPAR受体的激活程度较低且具有高度安全性。提供的化合物由以下一般式(I)或其药学上可接受的盐表示：其中Ar1代表以下环之一(II)和(III)：其中R2代表烷基基团，R3代表氢原子或烷基基团，R1代表以下取代基之一(IV)和(V)：