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N-Tigloylglycine-[2,2-d2]

General Information
Catalog: BLP-009961
CAS: 1219806-44-6
Molecular Formula: C7H9D2NO3
Molecular Weight: 159.18
Chemical Structure
N-Tigloylglycine-[2,2-d2]
Description N-Tigloylglycine-[2,2-d2] is a labelled N-Tigloylglycine. N-Tigloylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. Increased level of tiglylglycine is associated with beta-ketothiolase deficiency and disorders of propionate metabolism.
Synonyms N-trans-2-Methyl-2-butenoylglycine-d2; Tigloylaminoacetic Acid-d2; Tiglylglycine-d2
IUPAC Name 2,2-dideuterio-2-(2-methylbut-2-enoylamino)acetic acid
Related CAS 35842-45-6 (unlabelled)
Canonical SMILES CC=C(C)C(=O)NCC(=O)O
InChI InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/i4D2
InChI Key WRUSVQOKJIDBLP-APZFVMQVSA-N
Purity 95% by HPLC; 98% atom D

N-Tigloylglycine-[2,2-d2] is a deuterium-labeled compound that plays a pivotal role in metabolic research and analytical chemistry. Here are some key applications of N-Tigloylglycine-[2,2-d2]:

Metabolic Flux Analysis: N-Tigloylglycine-[2,2-d2] is used in stable isotope labeling experiments to monitor metabolic fluxes in biochemical pathways. By tracking the incorporation of deuterated atoms, researchers can gain insights into the dynamic changes and rates of metabolic reactions. This information is crucial for understanding disease metabolism and optimizing metabolic engineering strategies.

Pharmacokinetic Studies: In drug metabolism research, N-Tigloylglycine-[2,2-d2] serves as an internal standard to study the pharmacokinetics of tigloylglycine and related compounds. It helps in accurately quantifying drug absorption, distribution, metabolism, and excretion (ADME). This data is essential for optimizing dosing regimens and improving drug safety profiles.

Biomarker Discovery: N-Tigloylglycine-[2,2-d2] is utilized in mass spectrometry-based metabolomics to identify and quantify biomarkers related to various physiological and pathological states. By comparing deuterium-labeled and unlabeled samples, researchers can detect changes in metabolite levels and uncover potential diagnostic markers. This technique is valuable for early disease detection and personalized medicine.

Environmental Toxicology: In environmental science, N-Tigloylglycine-[2,2-d2] can be used to study the biotransformation of environmental contaminants. The deuterium label allows precise tracking of metabolic products and degradation pathways in organisms. This knowledge aids in the assessment of environmental risks and the development of remediation strategies.

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