BGC > Product Search > N-Demethyl vandetanib

Molecular Formula: C21H22BrFN4O2
Molecular Weight: 461.3273832

Description :
N-Desmethyl Vandetanib 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.

• Molecular Weight :461.34

Molecular Formula :
C21H22BrFN4O2
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)
InChIKey :
HTCPERSEGREUFC-UHFFFAOYSA-N
Synonyms :
N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-(4-piperidinylmethoxy)-4-quinazolinamine; 4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-[(piperidin-4-yl)methoxy]quinazoline

More details are to be found here

Description :
N-Desmethyl Vandetanib 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.

• Molecular Weight :461.34

Molecular Formula :
C21H22BrFN4O2
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)
InChIKey :
HTCPERSEGREUFC-UHFFFAOYSA-N
Synonyms :
N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-(4-piperidinylmethoxy)-4-quinazolinamine; 4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-[(piperidin-4-yl)methoxy]quinazoline

More details are to be found here