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-008974 |
Molecular Formula: C35H34D4Cl2N8O4 |
Molecular Weight: 709.66 |
Chemical Structure |
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Description | Itraconazole-[d4] is the labelled analogue of Itraconazole, an orally active antimycotic structurally related to Ketoconazole. Antifungal. It is a COVID-19-related research product. |
Synonyms | Sporanox D4 |
IUPAC Name | 2-butan-2-yl-4-[2,3,5,6-tetradeuterio-4-[4-[4-[[(2S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one |
Related CAS | 84625-61-6 (unlabelled) |
Canonical SMILES | CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl |
InChI | InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31?,35-/m1/s1/i5D,6D,7D,8D |
InChI Key | VHVPQPYKVGDNFY-ZVSAKLFXSA-N |
Purity | 98% by CP; 98% atom D |
Solubility | Soluble in Chloroform, Methanol |
Appearance | Off-white to Pale Beige Solid |
Storage | Store at -20°C |
Itraconazole-[d4], a deuterated iteration of itraconazole, an antifungal agent employed in diverse bioscience applications. Here are the key applications of Itraconazole-[d4]:
Pharmacokinetic Studies: Delving into drug dynamics, Itraconazole-[d4] serves as a pivotal tool in pharmacokinetic inquiries, elucidating drug absorption, distribution, metabolism, and excretion intricacies. Deuterated analogs like Itraconazole-[d4] offer distinct advantages as they can be discerned from the non-deuterated variant via mass spectrometry. This enables precise quantification and tracking within biological systems, enabling nuanced insights into drug behavior.
Metabolic Profiling: Researchers harness the power of Itraconazole-[d4] to delve into the metabolic pathways of itraconazole, shedding light on its biotransformation processes. The deuterium-labeled compound aids in the identification of metabolites, unraveling the intricate web of drug metabolism. This knowledge is instrumental in fine-tuning dosage regimens and enhancing drug safety profiles, contributing to optimized therapeutic strategies.
Drug-Drug Interaction Studies: Championing exploration into medication interactions, Itraconazole-[d4] finds utility in evaluating the interplay between itraconazole and other drugs. By utilizing a deuterated variant, scientists can precisely monitor itraconazole amidst a milieu of other compounds, unearthing potential interactions that could impact treatment outcomes. This approach facilitates the identification of adverse interactions and the refinement of co-administration practices for improved patient care.
Bioavailability Research: Unveiling the mysteries of drug delivery, Itraconazole-[d4] is a cornerstone in bioavailability investigations, unraveling the effects of drug formulation modifications on itraconazole distribution. Deuterated versions offer a stable platform for accurate measurements of drug concentration in plasma and tissues, yielding insights critical for the development of next-gen pharmaceutical products with enhanced efficacy and reliability.
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