3-((S)-1-carboxyethylcarbamoyl)propanoic acid | 39829-04-4

• 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: 3-((S)-1-carboxyethylcarbamoyl)propanoic acid
• 英文别名: (S)-N-(1-carboxyethyl)succinamic acid；L-alaninium succinate；L-Alaninsuccinamid；4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid；4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid
• CAS: 39829-04-4
• 化学式: C₇H₁₁NO₅
• 分子量: 189.168
• InChiKey: KAOMVEQNJVSESC-BYPYZUCNSA-N

物化性质

• 沸点：
  531.4±35.0 °C(Predicted)
• 密度：
  1.354±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 palladium hydroxide, 20 wt% on carbon 、 氢气 作用下， 以 乙醇 为溶剂， 以97%的产率得到3-((S)-1-carboxyethylcarbamoyl)propanoic acid
  参考文献：
  名称：

  N-谷氨酰-L-丙氨酸类似物的合成及其GGCT抑制活性。

  摘要：

  γ-谷氨酰环转移酶（GGCT）是一种重要的酶，可在γ-谷氨酰循环中裂解γ-谷氨酰氨基酸，从而释放出5-氧代脯氨酸和氨基酸。已合成了包括11种新化合物在内的18种N-酰基-L-丙氨酸类似物，并研究了其对重组人GGCT蛋白的抑制活性。发现简单的N-谷氨酰-L-丙氨酸是GGCT最有效的抑制剂。其他在2位具有甲基和二甲基取代基的N-戊二烯基-L-丙氨酸类似物是中等有效的，而N-（3R-氨基戊二烯基）-L-丙氨酸是在3-位具有（R）-氨基的底物。相反，在3-氮杂戊二烯基碳上具有N-甲基取代基的底物或N-（N-甲基-3-氮杂戊二烯基）-L-丙氨酸反过来表现出优异的抑制性能。

  DOI：

  10.1248/cpb.c16-00167

文献信息

• Cyclodextrin assisted enantiomeric recognition of benzo[de]isoquinoline-1,3-dione derived amino acids
  作者：Branko S. Jursic、Paresh K. Patel

  DOI：10.1016/j.tet.2004.11.021

  日期：2005.1

  Spectroscopic evidence for enantiomeric recognition of properly modified amino acids through the cyclodextrin assisted formation of polymer like self-assemblies is presented. The requirements for the formation of these assemblies through aromatic pi-pi stacking are discussed. It is suggested that this approach can be used for enantiomeric separation of chiral compounds that contain both electron-rich and electron-poor moieties. (C) 2004 Elsevier Ltd. All rights reserved.
• JP2015/10075
  申请人：——

  公开号：——

  公开（公告）日：——
• Growth and spectroscopic characterization of a new organic nonlinear optical crystal: l-Alaninium succinate
  作者：C. Ramachandra Raja、G. Gokila、A. Antony Joseph

  DOI：10.1016/j.saa.2008.11.030

  日期：2009.5

  A novel organic nonlinear optical (NLO) material, L-alaninium succinate, was synthesized by the standard method. The synthesized material was purified by repeated recrystallization. Single crystals were grown by slow evaporation technique using water as solvent. The grown crystals were characterized by FTIR, FT-NMR and UV-vis-NIR techniques. The second harmonic generation (SHG) from the material was confirmed using Nd:YAG laser which shows that LAS has 23% SHG efficiency of that of the standard KDP. The UV-vis-NIR transmittance was recorded in the range from 190 to 1100 nm. In this study, the lower cut-off is shifted towards UV region (190 nm) which shows that LAS has good transmittance in region from 190 to 1100 nm and it makes LAS for SHG. Functional groups present in the grown crystal were identified using FT-IR spectrum which gives confirmation of NH(3)(+) ion in LAS. The chemical structure of L-alaninium succinate was established by FT-NMR technique. Crown Copyright (C) 2008 Published by Elsevier B.V. All rights reserved.
• AMINOACID DERIVATIVES OF DICARBOXYLIC ACIDS AS FLAVOR INGREDIENTS
  申请人：FIRMENICH SA

  公开号：EP1599103A1

  公开（公告）日：2005-11-30
• Chemosensory Receptor Ligand-Based Therapies
  申请人：Brown Martin R.

  公开号：US20130303466A1

  公开（公告）日：2013-11-14

  Provided herein are methods for treating conditions associated with a chemosensory receptor, including diabetes, obesity, and other metabolic diseases, disorders or conditions by administering a composition comprising a chemosensory receptor ligand. Also provided herein are chemosensory receptor ligand compositions and methods for the preparation thereof for use in the methods of the present invention.