Name: Phenylacetylglutamine-[d5]
Brand: BOC Sciences
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General Information

Catalog: BLP-009962

CAS: 1331909-01-3

Molecular Formula: C13H11D5N2O4

Molecular Weight: 269.31

Chemical Structure

Description	Phenylacetylglutamine-[d5] is a labelled Phenylacetylglutamine. Phenylacetylglutamine is an amino acid acetylation product of phenylacetate. It is a component of human urine that accumulates in patients with uremia.
Synonyms	N-2-Phenylacetyl-d5-L-glutamine; Phenylac-L-Gln-OH-d5; Phenylacetyl-d5 L-Glutamine; N-Phenyl-d5-acetylglutamine; Phenyl-d5-acetyl-L-glutamine; Nα-(Phenyl-d5-acetyl)-L-glutamine
IUPAC Name	(2S)-5-amino-5-oxo-2-[[2-(2,3,4,5,6-pentadeuteriophenyl)acetyl]amino]pentanoic acid
Related CAS	28047-15-6 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])CC(=O)N[C@@H](CCC(=O)N)C(=O)O)[2H])[2H]
Canonical SMILES	C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O
InChI	InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1/i1D,2D,3D,4D,5D
InChI Key	JFLIEFSWGNOPJJ-CJMNRESHSA-N
Purity	95% by HPLC; 98% atom D

Phenylacetylglutamine-[d5] is a stable isotope-labeled compound often used in scientific research. Here are some key applications of Phenylacetylglutamine-[d5]:

Metabolomics: Phenylacetylglutamine-[d5] is used as an internal standard in metabolomics studies to quantify and analyze metabolic pathways. By comparing the labeled compound with its natural counterpart, researchers can gain accurate insights into metabolite concentrations and dynamics. This helps in understanding metabolic alterations in various physiological and pathological conditions.

Pharmacokinetics: In pharmacokinetic studies, Phenylacetylglutamine-[d5] helps track the absorption, distribution, metabolism, and excretion (ADME) of drugs. By labeling a compound with stable isotopes, scientists can precisely measure its bioavailability and metabolic fate in the body. This information is crucial for drug development and optimizing therapeutic regimens.

Biomarker Discovery: Phenylacetylglutamine-[d5] is employed in biomarker discovery for identifying and validating new biomarkers of disease states. Using mass spectrometry, researchers can detect subtle changes in metabolite levels in biological samples. This approach aids in developing diagnostic tools and understanding disease mechanisms.

Nutritional Studies: In nutritional research, Phenylacetylglutamine-[d5] can be used to study amino acid metabolism and nutritional status. By incorporating stable isotope-labeled compounds into diet studies, scientists can track nutrient utilization and metabolic responses. This helps in formulating nutritional guidelines and understanding dietary effects on health.