CAS 1225580-91-5 Acamprosate-[d12] Calcium

General Information
Catalog: BLP-011550
CAS: 1225580-91-5
Molecular Formula: 2(C5H4D6NO4S)•Ca
Molecular Weight: 412.55

General Information

Catalog: BLP-011550

CAS: 1225580-91-5

Molecular Formula: 2(C5H4D6NO4S)•Ca

Molecular Weight: 412.55

Chemical Structure

Description	Acamprosate-[d12] Calcium is the labelled salt of Acamprosate. Acamprosate is a synthetic amino acid and a neurotransmitter analogue that is used as an alcohol deterrent in management of alcohol dependence and abuse.
Synonyms	Acamprosate-d12 Calcium (di-n-propyl-d12); Calcium Acetylhomotaurite-d12; 3-(Acetylamino)-1-propanesulfonic Acid-d6 Calcium Salt (2:1); Acamprosate-d12 Calcium (dipropyl-d12); Calcium Acetylhomotaurinate-d12 (dipropyl-d12)
IUPAC Name	calcium;3-acetamido-1,1,2,2,3,3-hexadeuteriopropane-1-sulfonate
Related CAS	77337-73-6 (unlabelled) 77337-76-9 (unlabelled free acid)
Canonical SMILES	CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]
InChI	InChI=1S/2C5H11NO4S.Ca/c21-5(7)6-3-2-4-11(8,9)10;/h22-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2/i2*2D2,3D2,4D2;
InChI Key	BUVGWDNTAWHSKI-CSAJIOQGSA-L
Melting Point	>300°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Water (Slightly)
Appearance	White to Off-white Solid
Storage	Store at 2-8°C under inert atmosphere

Acamprosate-[d12] Calcium, a deuterated variant of Acamprosate pivotal in addiction research and treatment, holds diverse applications. Here are the key applications:

Alcohol Dependence Treatment Study: Within clinical research realms, Acamprosate-[d12] Calcium’s role in studying alcohol dependence treatment efficacy unfolds. The deuterated formulation facilitates meticulous tracking and monitoring of the compound’s pharmacokinetics, elevating comprehension of its effectiveness and safety contours.

Pharmacokinetic Research: Delving into drug metabolism and absorption territories, Acamprosate-[d12] Calcium shines. The d12 labeling serves as a potent ally in dissecting its journey via mass spectrometry, drawing a fine line between endogenous compounds and non-deuterated Acamprosate. This precision proves paramount for tailored pharmacokinetic modeling and therapeutic surveillance.

Mechanism of Action Studies: Unraveling the enigmatic molecular dance of Acamprosate, Acamprosate-[d12] Calcium takes center stage. Researchers delve into the intricate web of neurotransmitter systems like GABA and glutamate, pivotal players in addiction and withdrawal cascades. These deep dives pave the way for potent addiction therapies of the future.

Isotope Tracing Experiments: Steering into the frontiers of biochemical and pharmacological intricacies, Acamprosate-[d12] Calcium finds resonance in isotope tracing experiments. The deuterium tag acts as a guiding star, tracing the drug’s voyage through biological landscapes, offering insights into metabolic pathways and dosage optimization. An indispensable tool for unraveling the mysteries of drug distribution and pathways in biological systems.