Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
General Information |
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Catalog: BLP-004816 |
Molecular Formula: C23H25D3O12 |
Molecular Weight: 499.48 |
Chemical Structure |
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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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