CAS 1261396-48-8 Alvimopan-[d7] - Isotope / BOC Sciences

General Information
Catalog: BLP-011556
CAS: 1261396-48-8
Molecular Formula: C25H25D7N2O4
Molecular Weight: 431.58

General Information

Catalog: BLP-011556

CAS: 1261396-48-8

Molecular Formula: C25H25D7N2O4

Molecular Weight: 431.58

Chemical Structure

Description	Alvimopan-[d7] is the labelled analogue of Alvimopan. Alvimopan is a µ-opioid receptor antagonist with limited activity of µ-opioid receptor in the central nervous system. It is indicated for postoperative ileus.
Synonyms	Alvimopan-d7; rac-N-[2-[[4-(3-Hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-(phenyl)propyl]glycine-d7; ADL 8-2698-d7; LY 246736-d7; Entereg-d7
IUPAC Name	2-[[(2S)-3,3-dideuterio-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoyl]amino]acetic acid
Related CAS	156053-89-3 (unlabelled)
Canonical SMILES	CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)O
InChI	InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1/i3D,4D,5D,7D,8D,13D2
InChI Key	UPNUIXSCZBYVBB-ZXAJRTDPSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly, Sonicated, Heated)
Appearance	White Solid
Storage	Store at 2-8°C

Alvimopan-[d7], a deuterated derivative of the gastrointestinal agent alvimopan, primarily utilized in research settings, holds various key applications:

Pharmacokinetic Studies: Alvimopan-[d7] plays a crucial role in pharmacokinetic studies, shedding light on the absorption, distribution, metabolism, and excretion (ADME) of alvimopan. The deuterated nature of the compound facilitates its distinction from endogenous substances during mass spectrometric analysis, enabling precise tracking and quantification in biological samples.

Metabolism Research: Researchers leverage Alvimopan-[d7] to explore the metabolic pathways and identify the metabolites of alvimopan. The presence of deuterium atoms simplifies the tracing of the drug’s metabolic transformations within the body. This in-depth comprehension aids in optimizing drug efficacy and reducing potential side effects, enhancing overall pharmacological understanding.

Drug Interaction Studies: Alvimopan-[d7] serves as a critical asset in studying drug interactions, particularly focusing on how alvimopan interacts with other medications. By monitoring changes in pharmacokinetic parameters when combined with different drugs, researchers can anticipate potential adverse interactions. This application is pivotal for ensuring drug safety and developing effective co-treatment strategies for complex medical conditions.

Quantitative Bioanalysis: In both clinical and preclinical research settings, Alvimopan-[d7] functions as an internal standard in quantitative bioanalytical techniques. Its use guarantees accuracy and precision in measuring alvimopan concentrations in biological samples. This precision is essential for optimal dosing and therapeutic monitoring in patient care, contributing to enhanced treatment outcomes and patient well-being.