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Erlotinib-[13C6]

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General Information
Catalog: BLP-013654
CAS: 1211107-68-4
Molecular Formula: C16[13C]6H23N3O4
Molecular Weight: 399.39

Chemical Structure

Description	Erlotinib-[13C6] is the labelled analogue of Erlotinib. Erlotinib is a tyrosine kinase inhibitor which acts on the epidermal growth factor receptor (EGFR), inhibiting EGFR-associated kinase activity. Erlotinib is a medication used to treat non-small cell lung cancer and pancreatic cancer.
Synonyms	Erlotinib-13C6; CP-358774-13C6; NSC 718781-13C6; OSI-774-13C6; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine-13C6; 4-[(3-Ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline-13C6
IUPAC Name	N-(5-ethynyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
Related CAS	183321-74-6 (unlabelled) 183319-69-9 (unlabelled hydrochloride)
Canonical SMILES	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC
InChI	InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)/i5+1,6+1,7+1,12+1,16+1,17+1
InChI Key	AAKJLRGGTJKAMG-GQGGUIAASA-N
Solubility	Soluble in DMSO (10 mM)
Appearance	White Solid
Storage	Store at -20°C