Dabigatran etexilate-[d13] - Isotope / BOC Sciences

General Information
Catalog: BLP-013913
Molecular Formula: C34H28D13N7O5
Molecular Weight: 640.82

General Information

Catalog: BLP-013913

Molecular Formula: C34H28D13N7O5

Molecular Weight: 640.82

Chemical Structure

Description	One of the isotopic labelled form of Dabigatran Etexilate, which is a direct thrombin inhibitor and could be used as an oral anticoagulant agent.
Synonyms	ethyl 3-(2-(((4-(N-(((hexyl-d13)oxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
IUPAC Name	ethyl 3-[[1-methyl-2-[[4-[(Z)-N'-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexoxycarbonyl)carbamimidoyl]anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
Related CAS	211915-06-9 (unlabelled)
Canonical SMILES	CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N
InChI	InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)/i1D3,4D2,6D2,7D2,10D2,21D2
InChI Key	KSGXQBZTULBEEQ-BTQQZDERSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO
Storage	Store at -20°C

Dabigatran etexilate-[d13], a labeled variant of the oral anticoagulant Dabigatran, is instrumental in various applications. Here are the key applications of Dabigatran etexilate-[d13]:

Pharmacokinetic Studies: Employing Dabigatran etexilate-[d13] in pharmacokinetic studies allows researchers to delve into the absorption, distribution, metabolism, and excretion (ADME) of Dabigatran within the body. By utilizing this labeled compound, researchers can more precisely measure drug concentrations in biological samples, providing critical insights for optimizing dosing regimens and unraveling intricate drug interactions.

Metabolism Research: In the realm of metabolic research, Dabigatran etexilate-[d13] plays a pivotal role in identifying and quantifying the metabolites of Dabigatran. Through sophisticated analytical techniques like mass spectrometry, researchers can meticulously study the metabolic pathways of the drug, a crucial step in evaluating its safety and efficacy with heightened precision.

Drug Interaction Studies: By leveraging Dabigatran etexilate-[d13] in drug interaction studies, researchers can explore the intricate interplay between Dabigatran and other medications. By monitoring the labeled variant, researchers can discern the extent of interactions and their potential clinical implications, offering valuable insights for patients managing multiple medications with enhanced clarity and depth.

Clinical Research: Within the realm of clinical research, Dabigatran etexilate-[d13] emerges as a pivotal tool for studying the pharmacodynamics and therapeutic outcomes of Dabigatran with heightened intricacy. Through this tracer compound, researchers gain valuable insights into patient responses to treatment, refining clinical guidelines and shedding light on individual variability in drug response, thus enriching our understanding of treatment efficacy and optimization.