Afatinib-[d6] Dimaleate - Isotope / BOC Sciences

General Information
Catalog: BLP-003533
Molecular Formula: C32H27D6ClFN5O11
Molecular Weight: 724.13

General Information

Catalog: BLP-003533

Molecular Formula: C32H27D6ClFN5O11

Molecular Weight: 724.13

Chemical Structure

Description	One of the isotopic labelled form of Afatinib Dimaleate, which could be used in the treatment of some cancer and diseases of espiratory tract.
Synonyms	(2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quizolinyl]-4-dimethylamino)-2-butemide Dimaleate
IUPAC Name	(E)-4-[bis(trideuteriomethyl)amino]-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]but-2-enamide;(Z)-but-2-enedioic acid
Related CAS	850140-73-7 (unlabelled)
Canonical SMILES	CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
InChI	InChI=1S/C24H25ClFN5O3.2C4H4O4/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15;25-3(6)1-2-4(7)8/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29);21-2H,(H,5,6)(H,7,8)/b4-3+;2*2-1-/t16-;;/m0../s1/i1D3,2D3;;
InChI Key	USNRYVNRPYXCSP-PELYZBGRSA-N
Purity	95% by HPLC; 98% atom D

Afatinib-[d6] Dimaleate, a deuterated analog of the tyrosine kinase inhibitor afatinib, plays a pivotal role in cancer research and treatment. Here are the key applications of Afatinib-[d6] Dimaleate:

Pharmacokinetic Studies: By utilizing Afatinib-[d6] Dimaleate in pharmacokinetic investigations, researchers delve into its absorption, distribution, metabolism, and excretion within the human body. The presence of deuterium atoms enables precise detection via mass spectrometry, facilitating accurate tracking of the compound. These studies are indispensable for refining dosing schedules and enhancing therapeutic effectiveness through meticulous data analysis.

Drug-Drug Interaction Studies: In the realm of drug-drug interaction analyses, Afatinib-[d6] Dimaleate emerges as a valuable tool for scrutinizing its interplay with other medications or substances. Its inherent stability and traceability position it as an ideal candidate for such studies, aiding in the anticipation and mitigation of potential adverse effects. This knowledge forms the bedrock for safe and efficient amalgamation of therapies in clinical settings, ensuring optimal patient outcomes.

Biomarker Identification: Within the landscape of oncology research, Afatinib-[d6] Dimaleate proves its worth by aiding in the identification of biomarkers crucial for predicting treatment responses. By juxtaposing the effects of this compound with its non-deuterated counterpart, researchers uncover nuanced disparities that could sway therapeutic results. This personalized approach to cancer treatment hinges on tailoring therapies to individual patient characteristics, marking a paradigm shift towards precision medicine.

Mechanistic Studies: In delving into mechanistic inquiries, Afatinib-[d6] Dimaleate serves as a cornerstone for probing the inhibition of tyrosine kinase receptors, including EGFR and HER2, prevailing in cancer cells. Unraveling the intricacies of how this compound interacts with these receptors unearths crucial insights into its mechanism of action and the development of resistance. This comprehension forms the linchpin for crafting next-generation inhibitors with heightened efficacy and safety profiles, propelling cancer therapeutics towards greater precision and potency.