CAS 1134803-18-1 Imatinib-[d3] - Isotope / BOC Sciences

General Information
Catalog: BLP-012390
CAS: 1134803-18-1
Molecular Formula: C29H28D3N7O
Molecular Weight: 496.62

General Information

Catalog: BLP-012390

CAS: 1134803-18-1

Molecular Formula: C29H28D3N7O

Molecular Weight: 496.62

Chemical Structure

Description	Imatinib-[d3] is the labelled analogue of Imatinib. Imatinib can be used for the treatment of chronic myelogenous leukemia and acute lymphocytic leukemia.
Synonyms	Imatinib D3; Genfatinib-d3; 4-[[4-(methyl-d3)-1-piperazinyl]methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide
IUPAC Name	N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[[4-(trideuteriomethyl)piperazin-1-yl]methyl]benzamide
Related CAS	152459-95-5 (unlabelled)
Canonical SMILES	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
InChI	InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)/i2D3
InChI Key	KTUFNOKKBVMGRW-BMSJAHLVSA-N
Melting Point	>195°C (dec.)
Purity	95% by HPLC; 99% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C

Imatinib-[d3], a deuterated variant of the tyrosine kinase inhibitor Imatinib, finds widespread utility in both research and clinical domains. Listed below are its key applications:

Pharmacokinetic Studies: Imatinib-[d3] plays a pivotal role in delving into the pharmacokinetics of the drug encompassing aspects such as absorption, distribution, metabolism, and excretion. Its deuterated composition enables precise tracking via mass spectrometry, unfettered by interference from endogenous compounds. This analytical tool sheds light on the drug's behavior within the body, facilitating the optimization of dosage regimens for enhanced therapeutic outcomes.

Drug Metabolism Research: Leveraging Imatinib-[d3] as a research asset allows for an in-depth exploration of the metabolic pathway undertaken by Imatinib, unveiling insights into its stability and breakdown relative to its non-deuterated counterpart. Researchers can pinpoint the metabolic enzymes at play and evaluate potential interactions with other drugs. This knowledge proves invaluable in refining the safety and efficacy profiles of the medication, bolstering patient care standards.

Therapeutic Drug Monitoring: Within clinical milieus, Imatinib-[d3] serves as a steadfast internal standard for monitoring Imatinib levels in patients, aiding experts in achieving precise quantification for optimal therapeutic concentrations. This personalized approach not only elevates treatment efficacy but also mitigates the occurrence of adverse effects, enhancing patient well-being through tailored medication regimens.

Research Tool for Resistance Mechanisms: Imatinib-[d3] emerges as a vital instrument in probing the mechanisms underpinning resistance in cancer cells, notably in chronic myeloid leukemia (CML) and gastrointestinal stromal tumors (GIST). By scrutinizing how cancer cells adapt to Imatinib treatment and develop resistance, scientists gain crucial insights for devising strategies to surmount such challenges and elevate patient outcomes, underscoring the pivotal role of this research tool in advancing cancer therapeutics.