CAS 70155-52-1 Baclofen-[d4] (Major) - Isotope / BOC Sciences

General Information
Catalog: BLP-003385
CAS: 70155-52-1
Molecular Formula: C10H8D4ClNO2
Molecular Weight: 217.69

General Information

Catalog: BLP-003385

CAS: 70155-52-1

Molecular Formula: C10H8D4ClNO2

Molecular Weight: 217.69

Chemical Structure

Description	Baclofen-[d4] (Major) is a labelled compound of Baclofen. Baclofen, an agonist of GABAB receptor, could be effective as a skeletal muscle relaxant and has been also found to have antispastic effect.
Synonyms	β-(Aminomethyl-d2)-4-chlorobenzenepropanoic-α,α-d2 Acid
IUPAC Name	4-amino-3-(4-chlorophenyl)-2,2,4,4-tetradeuteriobutanoic acid
Related CAS	1134-47-0 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1C(CC(=O)O)CN)Cl
InChI	InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/i5D2,6D2
InChI Key	KPYSYYIEGFHWSV-NZLXMSDQSA-N
Melting Point	184-187°C
Purity	> 98%
Appearance	Off-white to Pale Beige Solid
Storage	-20°C

Baclofen-[d4] is a deuterated form of Baclofen, a muscle relaxant commonly used in the treatment of spasticity. It has various applications in clinical and research settings. Here are some key applications of Baclofen-[d4]:

Pharmacokinetic Studies: Baclofen-[d4] is used in pharmacokinetic studies to investigate the absorption, distribution, metabolism, and excretion of Baclofen in the human body. By using the deuterated form, researchers can accurately trace and quantify the drug in biological samples.

Therapeutic Drug Monitoring: In clinical settings, Baclofen-[d4] can be used as an internal standard for therapeutic drug monitoring of Baclofen. Its unique deuterium signature allows for precise measurement of Baclofen levels in patient plasma through advanced analytical techniques like mass spectrometry.

Research in Drug Interactions: Baclofen-[d4] is employed in research to study potential drug-drug interactions involving Baclofen. By comparing the pharmacokinetics of Baclofen-[d4] with non-deuterated Baclofen under different conditions, researchers can identify how other drugs affect its metabolism.

Isotopic Labeling Studies: Baclofen-[d4] serves as a valuable tool for isotopic labeling studies aimed at understanding metabolic pathways. Incorporating deuterium labels enables researchers to trace the metabolic fate of Baclofen and identify metabolites formed during biotransformation. These insights are important for drug development and for assessing the potential formation of toxic metabolites.