2-(乙胺基)乙酰胺 | 98026-01-8

• 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: 2-(乙胺基)乙酰胺
• 英文名称: 2-(ethylamino)acetamide
• 英文别名: N-ethyl-glycine amide；N-Aethyl-glycin-amid；Aethylaminoessigsaeure-amid；Aethylaminoacetamid；Ethylaminoessigsaeureamid
• CAS: 98026-01-8
• 化学式: C₄H₁₀N₂O
• mdl: MFCD09731442
• 分子量: 102.136
• InChiKey: SNFFHBJWQFQMBC-UHFFFAOYSA-N

物化性质

• 熔点：
  62-65 °C (decomp)
• 沸点：
  230.7±23.0 °C(Predicted)
• 密度：
  0.980±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(乙胺基)乙酰胺 、 2,4-双(苯硫基)-1,3-二硫杂-2,4-二磷杂环丁烷 2,4-二硫化物 以 苯 为溶剂， 生成
  参考文献：
  名称：

  The Quantitative Structure-Herbicidal Activity Relationship of 1-Alkyl-1,3,2-Diazaphospholidin-4-Thione-2-Sulfides

  摘要：

  DOI：

  10.1080/10426509908546279
• 作为产物：
  描述：

  乙胺 、 氯乙酰胺 以 水 为溶剂， 反应 5.0h， 以88%的产率得到2-(乙胺基)乙酰胺
  参考文献：
  名称：

  2-取代的具有与氨基酸相关的侧链的Penems：新系列的β-内酰胺类抗生素的合成和抗菌活性。

  摘要：

  合成了一系列新的6-（羟乙基）青霉烯2-氨基酸相关的侧链取代。从合成的观点来看，氨基酰基衍生物的性质被证明是至关重要的，因为β-内酰胺开环可以与C-2亲核取代竞争，并且具有抗菌活性。伯氨基酸酰胺作为增强通过革兰氏阴性外膜渗透性的最合适的侧链出现。新的2-[（（氨基酰胺基）甲基]青霉烯3a-u）的体外活性受酰胺部分的性质和位置，环状酰胺的环大小以及氨基酸构型的影响。

  DOI：

  10.1021/jm00021a013

文献信息

• Core Refinement toward Permeable β-Secretase (BACE-1) Inhibitors with Low hERG Activity
  作者：Tobias Ginman、Jenny Viklund、Jonas Malmström、Jan Blid、Rikard Emond、Rickard Forsblom、Anh Johansson、Annika Kers、Fredrik Lake、Fernando Sehgelmeble、Karin J. Sterky、Margareta Bergh、Anders Lindgren、Patrik Johansson、Fredrik Jeppsson、Johanna Fälting、Ylva Gravenfors、Fredrik Rahm

  DOI：10.1021/jm3011349

  日期：2013.6.13

  By use of iterative design aided by predictive models for target affinity, brain permeability, and hERG activity, novel and diverse compounds based on cyclic amidine and guanidine cores were synthesized with the goal of finding BACE-1 inhibitors as a treatment for Alzheimer's disease. Since synthesis feasibility had low priority in the design of the cores, an extensive synthesis effort was needed to make the relevant compounds. Syntheses of these compounds are reported, together with physicochemical properties and structure-activity relationships based on in vitro data. Four crystal structures of diverse amidines binding in the active site are deposited and discussed. Inhibitors of BACE-1 with 3 mu M to 32 nM potencies in cells are shown, together with data on in vivo brain exposure levels for four compounds. The results presented show the importance of the core structure for the profile of the final compounds.
• Discovery of long-acting N-(cyanomethyl)-N-alkyl-l-prolinamide inhibitors of dipeptidyl peptidase IV
  作者：Takashi Kondo、Takahiro Nekado、Isamu Sugimoto、Kenya Ochi、Shigeyuki Takai、Atsushi Kinoshita、Akira Hatayama、Susumu Yamamoto、Kazuhito Kawabata、Hisao Nakai、Masaaki Toda

  DOI：10.1016/j.bmc.2007.10.005

  日期：2008.1

  Details of structure-activity relationships (SAR) for P2 moiety of a P1 2-cyanopyrrolidine dipeptidyl peptidase IV (DPP-IV) inhibitor 4a including stereochemistry are presented. Based on this information, a series of PI (N-alkyl)aminoacetonitrile analogs 9-20 possessing optimal P2 structure were synthesized and evaluated as inhibitors of DPP-IV. Among them, a representative compound 11, N-(cyanomethyl)-N-ethyl-L-prolinamide, was further evaluated to determine its effect on the plasma glucose level. Also 4a, 10, and 11 were evaluated for their isozyme selectivity to predict their safety problems. (C) 2007 Elsevier Ltd. All rights reserved.
• Brunken; Bach, Chemische Berichte, 1956, vol. 89, p. 1363,1370
  作者：Brunken、Bach

  DOI：——

  日期：——
• Schiff,H., Justus Liebigs Annalen der Chemie, 1901, vol. 319, p. 301
  作者：Schiff,H.

  DOI：——

  日期：——
• NANDZE, KATSUMI;SOMEHYA, SINDZA;KATSURAYAMA, NORIESI
  作者：NANDZE, KATSUMI、SOMEHYA, SINDZA、KATSURAYAMA, NORIESI

  DOI：——

  日期：——