Name: Lapatinib-[13C2,15N] Ditosylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-007891

CAS: 1246819-08-8

Molecular Formula: C41[13C]2H42ClFN3[15N]O10S3

Molecular Weight: 928.44

Chemical Structure

Description	Lapatinib-[13C2,15N] Ditosylate is the labelled salt of Lapatinib, which has potential antineoplastic activity. Lapatinib reversibly blocks phosphorylation of the epidermal growth factor receptor (EGFR), ErbB2, and the Erk-1 and-2 and AKT kinases.
Synonyms	Lapatinib-13C2,15N Ditosylate; N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine Bis(4-methylbenzenesulfonate)-13C2,15N Ditosylate; Tykerb-13C2,15N Ditosylate
IUPAC Name	N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonyl(1,2-13C2)ethyl(15N)amino)methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid
Related CAS	388082-77-7 (unlabelled)
Canonical SMILES	CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
InChI	InChI=1S/C29H26ClFN4O4S.2C7H8O3S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;21-6-2-4-7(5-3-6)11(8,9)10/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);22-5H,1H3,(H,8,9,10)/i11+1,12+1,32+1;;
InChI Key	UWYXLGUQQFPJRI-YZJTZNKBSA-N
Melting Point	247-249°C
Purity	≥95%; ≥98% atom 13C; ≥98% atom 15N
Solubility	Soluble in DMSO; Sparingly soluble in Methanol
Appearance	Yellow Solid
Storage	Store at -20°C under inert atmosphere