CAS 1794767-93-3 N-[(4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]glycine-[d3]

General Information
Catalog: BLP-006384
CAS: 1794767-93-3
Molecular Formula: C19H13D3N2O5
Molecular Weight: 355.56

General Information

Catalog: BLP-006384

CAS: 1794767-93-3

Molecular Formula: C19H13D3N2O5

Molecular Weight: 355.56

Chemical Structure

Description	N-[(4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]glycine-[d3] is the labelled analogue of Roxadustat, which is a hypoxia-inducible factor prolyl hydroxylase inhibitor (HIF-PHI).
Synonyms	N-[(4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]glycine-d3; [[(4-Hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)carbonyl]amino]acetic Acid-d3; Roxadustat-d3
IUPAC Name	2-[[4-hydroxy-7-phenoxy-1-(trideuteriomethyl)isoquinoline-3-carbonyl]amino]acetic acid
Related CAS	808118-40-3 (unlabelled)
Canonical SMILES	CC1=C2C=C(C=CC2=C(C(=N1)C(=O)NCC(=O)O)O)OC3=CC=CC=C3
InChI	InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)/i1D3
InChI Key	YOZBGTLTNGAVFU-FIBGUPNXSA-N
Solubility	Slightly soluble in DMSO
Appearance	White to Pale Green Solid
Storage	Store at 2-8°C

N-[(4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]glycine-[d3] is a deuterated compound widely utilized across diverse scientific domains owing to its stable isotope labeling. Here are key applications of N-[(4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]glycine-[d3] presented with a high degree of perplexity and burstiness:

Pharmaceutical Development: Delving into the realm of pharmaceuticals, this compound finds utility in probing drug metabolism and pharmacokinetics. By introducing deuterium, researchers can meticulously trace the metabolic pathways of drugs, offering profound insights into drug absorption, distribution, metabolism, and elimination. This knowledge aids in refining drug formulations, ultimately augmenting therapeutic effectiveness.

Analytical Chemistry: Within the domain of analytical chemistry, N-[(4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]glycine-[d3] acts as a vital internal standard for mass spectrometry analyses. Its deuterated composition enables precise quantification of analytes within complex biological matrices, ensuring meticulous measurement of compound concentrations crucial for both research endeavors and clinical diagnostics.

Biochemical Research: Unraveling the mysteries of structural biology and enzymology, deuterated compounds like this molecule play a pivotal role. By substituting hydrogen with deuterium, scientists can examine subtle shifts in molecular interactions and reaction mechanisms, illuminating deeper understandings of enzyme kinetics and protein-ligand dynamics. These insights foster the development of innovative biochemical models, pushing the boundaries of biological research.

Spectroscopic Studies: Embarking on spectroscopic journeys, N-[(4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]glycine-[d3] serves as a valuable asset in exploring the impacts of isotopic substitution on vibrational frequencies and molecular dynamics. Deuterium labeling streamlines spectral analysis, unraveling structural nuances of complex molecules. These revelations are indispensable for advancing spectroscopic techniques in chemistry and materials science, shaping the landscape of molecular investigations.