CAS 1020719-89-4 Sulfathiazole-[d4] - Isotope / BOC Sciences

General Information
Catalog: BLP-012602
CAS: 1020719-89-4
Molecular Formula: C9H5D4N3O2S2
Molecular Weight: 259.34

General Information

Catalog: BLP-012602

CAS: 1020719-89-4

Molecular Formula: C9H5D4N3O2S2

Molecular Weight: 259.34

Chemical Structure

Description	Sulfathiazole-[d4] is the labelled analogue of Sulfathiazole. Sulfathiazole is an organosulfur compound used as a short-acting antibacterial agent.
Synonyms	Sulfathiazole D4; 4-Amino-N-2-thiazolylbenzenesulfonamide-d4; N1-2-Thiazolylsulfanilamide-d4; 2-(p-Aminobenzenesulfonamido)thiazole-d4
IUPAC Name	4-amino-2,3,5,6-tetradeuterio-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CAS	72-14-0 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)NC2=NC=CS2)[2H]
Canonical SMILES	C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2
InChI	InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)/i1D,2D,3D,4D
InChI Key	JNMRHUJNCSQMMB-RHQRLBAQSA-N
Boiling Point	479.5±47.0 °C at 760 mmHg
Melting Point	195-197°C (dec.)
Purity	98% by HPLC; 99% atom D
Density	1.6±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	Off-white to Pale Yellow Solid
Storage	Store at -20°C

Sulfathiazole-[d4], a deuterated variant of the sulfonamide antibiotic sulfathiazole, serves diverse purposes in research and analyses. Here are the key applications of Sulfathiazole-[d4]:

Pharmacokinetic Studies: Sulfathiazole-[d4] stands as a pivotal internal standard in pharmacokinetic investigations, enabling the accurate quantification of sulfathiazole concentrations in biological samples. Its deuterated composition facilitates precise differentiation between the administered drug and the standard during mass spectrometry analysis, providing researchers with valuable insights into the absorption, distribution, metabolism, and excretion patterns of sulfathiazole.

Metabolite Identification: In the realm of drug metabolism inquiries, Sulfathiazole-[d4] plays a crucial role in the identification and quantification of drug metabolites. By juxtaposing the mass spectrometry data of Sulfathiazole-[d4] and its metabolites, researchers can decipher metabolic pathways and ascertain the biotransformation products of sulfathiazole. This knowledge is paramount for evaluating the safety and efficacy of the drug.

Analytical Method Development: Embarking on the journey of analytical method evolution, Sulfathiazole-[d4] emerges as a linchpin aiding in the crafting and validation of analytical techniques for quantifying sulfathiazole in diverse matrices. Acting as a stable isotope-labeled standard, it ensures the precision and reproducibility of chromatographic and spectrometric assays, a cornerstone in ensuring regulatory adherence and quality assurance in pharmaceutical analyses.

Environmental Monitoring: Delving into the realms of environmental science, Sulfathiazole-[d4] assumes the role of a tracer in studies exploring the destiny and migration of sulfonamide antibiotics in the environment. By integrating Sulfathiazole-[d4] into experimental setups, researchers can meticulously trace its dissemination and degradation in soil and water systems, enabling a comprehensive assessment of the environmental repercussions and persistence of sulfonamide antibiotics.