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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

N-Demethyl Vandetanib-[d4]

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General Information
Catalog: BLP-013055
CAS: 1346603-93-7
Molecular Formula: C21H18D4BrFN4O2
Molecular Weight: 465.36
Chemical Structure
N-Demethyl Vandetanib-[d4]
Description N-Demethyl Vandetanib-[d4] is the labelled analogue of N-Desmethyl Vandetanib, which is a metabolite of Vandetanib. Vandetanib is an antitumor drug used for the treatment of medullary thyroid cancer. Vandetanib effects through inhibiting vascular endothelial growth factor receptor-2 (VEGFR), epidermal growth factor receptor (EGFR) and the RET-tyrosine kinase activity.
Synonyms N-Demethyl Vandetanib D4; N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[4-(piperidinyl-d4)methoxy]-4-quinazolinamine; 4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-[[(piperidin-4-yl)-d4]methoxy]quinazoline
IUPAC Name N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(2,2,6,6-tetradeuteriopiperidin-4-yl)methoxy]quinazolin-4-amine
Related CAS 338992-12-4 (unlabelled)
Canonical SMILES COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC4CCNCC4
InChI InChI=1S/C21H22BrFN4O2/c1-28-19-9-15-18(10-20(19)29-11-13-4-6-24-7-5-13)25-12-26-21(15)27-17-3-2-14(22)8-16(17)23/h2-3,8-10,12-13,24H,4-7,11H2,1H3,(H,25,26,27)/i6D2,7D2
InChI Key HTCPERSEGREUFC-KXGHAPEVSA-N
Purity 95% by HPLC; 98% atom D
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