Cefditoren-[13C,d3] - Isotope / BOC Sciences

General Information
Catalog: BLP-011834
Molecular Formula: C18[13C]H15D3N6O5S3
Molecular Weight: 510.60

General Information

Catalog: BLP-011834

Molecular Formula: C18[13C]H15D3N6O5S3

Molecular Weight: 510.60

Chemical Structure

Description	Cefditoren-[13C,d3] is the labelled analogue of Cefditoren. Cefditoren is the third-generation cephalosporin antibiotic for oral use.
Synonyms	Cefditoren-13C,D3; (6R,7R)-7-[[(2Z)-(2-Amino-4-thiazolyl)methoxyimino)acetyl]amino]-3-[(1Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid-13C,d3; (6R-(3(Z),6alpha,7beta(Z)))-7-((2-Amino-4-thiazolyl)(methoxyimino)acetyl)amino-3-(2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid-13C,d3
IUPAC Name	(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(trideuterio(1-13C)methoxyimino)acetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Related CAS	104145-95-1 (unlabelled) 104146-53-4 (unlabelled sodium)
Canonical SMILES	CC1=C(SC=N1)C=CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O
InChI	InChI=1S/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,17-/m1/s1/i2+1D3
InChI Key	KMIPKYQIOVAHOP-XMZGYDMXSA-N
Purity	95% by HPLC; 98% atom 13C; 98% atom D

Cefditoren-[13Cd3] is an isotopically labeled antibiotic used in various research and preclinical studies. Here are some key applications of Cefditoren-[13Cd3]:

Pharmacokinetics: Cefditoren-[13Cd3] is employed in pharmacokinetic studies to track and analyze the drug’s absorption, distribution, metabolism, and excretion in the body. The isotopic labeling allows for precise quantification using mass spectrometry. This information is crucial for determining appropriate dosing regimens and ensuring the drug’s safety and efficacy.

Metabolic Profiling: Researchers use Cefditoren-[13Cd3] to study its metabolic pathways within the body. By providing a clear distinction from the natural isotopic composition of biological samples, this labeled compound helps in identifying metabolites and understanding the drug’s biotransformation. This enables the optimization of drug design and reduces the potential for adverse effects.

Drug-Drug Interaction Studies: Cefditoren-[13Cd3] is valuable in investigating potential interactions with other pharmaceuticals. The isotopic labeling allows for concurrent tracking of multiple compounds in the same assay, helping researchers to accurately identify and quantify interactions. These studies are critical for ensuring that cefditoren can be safely co-administered with other medications.

Clinical Research: In clinical research, Cefditoren-[13Cd3] is used to monitor drug adherence and patient compliance. The labeled drug is detectable in biological samples, allowing clinicians to confirm that patients are taking their medication as prescribed. This can improve clinical trial data accuracy and inform treatment decisions.