CAS 1346600-71-2 Azathioprine-[13C4] - Isotope / BOC Sciences

General Information
Catalog: BLP-008240
CAS: 1346600-71-2
Molecular Formula: C5[13C]4H7N7O2S
Molecular Weight: 281.23

General Information

Catalog: BLP-008240

CAS: 1346600-71-2

Molecular Formula: C5[13C]4H7N7O2S

Molecular Weight: 281.23

Chemical Structure

Description	Azathioprine-[13C4] is the labelled analogue of Azathioprine. Azathioprine is an immunosuppressive drug, inhibiting purine synthesis and GTP-binding protein Rac1 activation, used in the treatment of organ transplantation and autoimmune diseases.
Synonyms	Azathioprine-13C4; 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-purine-13C4; BW-57-322-13C4; NSC-39084-13C4; Azanin-13C4; Imuran-13C4; Imurek-13C4; Imurel-13C4; Zytrim-13C4
IUPAC Name	6-(3-(1-13C)methyl-5-nitro(2,4,5-13C3)imidazol-4-yl)sulfanyl-7H-purine
Related CAS	446-86-6 (unlabelled)
Isomeric SMILES	[13CH3]N1[13CH]=N[13C](=[13C]1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
Canonical SMILES	CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
InChI	InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)/i1+1,4+1,7+1,9+1
InChI Key	LMEKQMALGUDUQG-HXRDNURUSA-N
Melting Point	251-253°C
Purity	≥96%; ≥98% atom 13C
Solubility	Slightly soluble in DMSO, Methanol (Heated)
Appearance	Light Yellow Solid
Storage	Store at -20°C

Azathioprine-[13C4] is a labeled compound used in various scientific and medical research applications. Here are some key applications of Azathioprine-[13C4]:

Pharmacokinetic Studies: Azathioprine-[13C4] is used in pharmacokinetic studies to track and understand the metabolism of azathioprine in the body. By using the labeled compound, researchers can accurately measure drug absorption, distribution, metabolism, and excretion. This data is crucial for optimizing dosing regimens and minimizing potential side effects.

Metabolite Identification: In drug metabolism studies, Azathioprine-[13C4] aids in identifying and quantifying the metabolites of azathioprine. The stable isotope labeling allows for precise differentiation between the parent drug and its metabolites in biological samples. This information is essential for understanding the drug’s biotransformation pathways and potential metabolic interactions.

Clinical Research: Azathioprine-[13C4] can be utilized in clinical trials to monitor drug compliance and investigate interindividual variability in drug metabolism. By administering the labeled compound, researchers can distinguish between exogenous and endogenous sources of azathioprine in patient samples. This enhances the accuracy of pharmacokinetic analyses and supports personalized medicine approaches.

Bioanalytical Method Development: The labeled azathioprine is valuable for developing and validating bioanalytical methods such as liquid chromatography-mass spectrometry (LC-MS/MS) for the quantification of azathioprine and its metabolites in biological matrices. The use of Azathioprine-[13C4] as an internal standard improves the precision and reliability of these analytical techniques. This ensures robust and reproducible results in both preclinical and clinical studies.