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Mycophenolic Acid Acyl-β-D-glucuronide-[d3]

General Information
Catalog: BLP-004816
Molecular Formula: C23H25D3O12
Molecular Weight: 499.48
Chemical Structure
Mycophenolic Acid Acyl-β-D-glucuronide-[d3]
Description Mycophenolic Acid Acyl-β-D-glucuronide-[d3] is the labelled analogue of Mycophenolic Acid Acyl-β-D-glucuronide, which is an impurity of Mycophenolate Mofetil. Mycophenolate Mofetil is used as an immunosuppressive agent, and as an inducer of monocyte differentiation and apoptosis in human lymphoid and monocytic cell lines.
Synonyms Mycophenolic Acid-d3 Acyl-β-D-glucuronide; 1-[(4E)-6-(1,3-Dihydro-4-hydroxy-6-(methoxy-d3)-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-1-oxo-4-hexenoate] β-D-Glucopyranuronic Acid; Mycophenolic acid acyl glucuronide-d3; Mycophenolic acid O-acyl-glucuronide-d3
IUPAC Name 3,4,5-trihydroxy-6-[(E)-6-[4-hydroxy-7-methyl-3-oxo-6-(trideuteriomethoxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoyl]oxyoxane-2-carboxylic acid
Related CAS 99043-04-6 (unlabelled)
Canonical SMILES CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O
InChI InChI=1S/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/b9-4+/i3D3
InChI Key QBMSTEZXAMABFF-HZIIEIAOSA-N
Purity 95%; ≥99% atom D
Solubility Slightly soluble in Methanol (Heated)
Appearance White to Light Beige Solid
Storage Store at -20°C under inert atmosphere

Mycophenolic Acid Acyl-β-D-glucuronide-[d3], a deuterated metabolite essential for pharmacokinetics and metabolism studies, offers a myriad of applications. Here are key uses presented with high perplexity and burstiness:

Pharmacokinetic Studies: Delving into drug metabolism and pharmacokinetics, Mycophenolic Acid Acyl-β-D-glucuronide-[d3] plays a pivotal role. Its deuterated nature enables meticulous tracing and measurement of metabolic pathways in research endeavors. This data is paramount for comprehending the absorption, distribution, metabolism, and excretion (ADME) profile of the parent drug mycophenolic acid.

Biomarker Discovery: As a reference analyte, this compound contributes to the exploration and validation of biomarkers associated with immunosuppressive therapies. By analyzing its presence and ratios in biological samples, researchers can pinpoint potential biomarkers indicative of drug efficacy and patient response variability. This endeavor supports the advancement of personalized medicine strategies for transplant recipients and individuals with autoimmune conditions.

Metabolic Pathway Elucidation: Researchers leverage Mycophenolic Acid Acyl-β-D-glucuronide-[d3] to unravel the intricate metabolic pathways of mycophenolic acid. The isotope-labeled metabolite offers detailed insights into phase II drug metabolism processes, particularly glucuronidation. Profound comprehension of these pathways enables enhancements in drug design and the anticipation of metabolic interactions with other pharmaceutical agents, paving the way for optimized therapeutic interventions.

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