Itraconazole-[d4] - Isotope / BOC Sciences

General Information
Catalog: BLP-008974
Molecular Formula: C35H34D4Cl2N8O4
Molecular Weight: 709.66

General Information

Catalog: BLP-008974

Molecular Formula: C35H34D4Cl2N8O4

Molecular Weight: 709.66

Chemical Structure

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.