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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

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