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L-Aspartic-[15N] acid β-benzylester derivative

General Information
Catalog: BLP-009939
Molecular Formula: C11H13[15N]O4
Molecular Weight: 224.22
Chemical Structure
L-Aspartic-[15N] acid β-benzylester derivative
Synonyms H-Asp(OBn)-OH-15N
IUPAC Name (2S)-2-(15N)azanyl-4-oxo-4-phenylmethoxybutanoic acid
Related CAS 2177-63-1 (unlabelled)
Canonical SMILES C1=CC=C(C=C1)COC(=O)CC(C(=O)O)N
InChI InChI=1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)/t9-/m0/s1/i12+1
InChI Key VGALFAWDSNRXJK-ZNXOOWLZSA-N
Purity 95% by HPLC; 98% atom 15N

L-Aspartic-[15N] acid β-benzylester derivative, a labeled chemical compound with isotopic properties, finds utility in diverse research and industrial settings. Here are key applications of this compound crafted with high perplexity and burstiness:

Metabolomics: This derivative, a cornerstone of metabolomic investigations, serves as a powerful tool for unraveling metabolic pathways. The [15N] isotopic label embedded within facilitates a deep dive into nitrogen-containing compounds and the intricate world of nitrogen metabolism within biological frameworks. Researchers employ it to dissect amino acid synthesis and degradation pathways, meticulously tracing nitrogen isotope integration as a window into cellular processes.

Protein Structure Analysis: Within the realm of structural biology, the L-Aspartic-[15N] acid β-benzylester derivative emerges as a linchpin for probing protein folding dynamics and interactions. Isotopic labeling with [15N] amplifies the resolution of NMR spectroscopy analyses, furnishing nuanced insights into protein conformation and motion. This heightened clarity is instrumental in pinpointing binding sites and unraveling the subtleties of protein-ligand or protein-protein engagements, shedding light on molecular interplay.

Pharmaceutical Development: In the ever-evolving landscape of drug discovery, this derivative plays a pivotal role in deciphering drug metabolism intricacies and stability assessments. The isotopic designation enables precise tracking of the compound's trajectory through metabolic pathways, unveiling crucial insights into drug fate. Such scrutiny aids in fine-tuning pharmacokinetic profiles of potential drug entities, bolstering the efficacy of drug design endeavors and offering a refined lens into pharmacological outcomes.

Environmental Research: Embedded in the tapestry of environmental investigations, the L-Aspartic-[15N] acid β-benzylester derivative emerges as a potent asset in untangling nitrogen cycling dynamics within ecosystems. It serves as a beacon in illuminating the assimilation, transformation, and transport of nitrogen compounds across soil and aqueous domains. These studies stand as pillars in deciphering nutrient fluxes and guiding strategies aimed at curbing nitrogen pollution, underlining the compound's pivotal role in environmental stewardship and scientific inquiry.

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