Desmethyl Erlotinib hydrochloride

• CAT Number: I002377
• CAS Number: 183320-51-6
• Molecular Formula: C21H22ClN3O4
• Molecular Weight: 415.87
• Purity: ≥95%
• Synonyms: 2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol;hydrochloride
• InChI: InChI=1S/C21H21N3O4.ClH/c1-3-15-5-4-6-16(11-15)24-21-17-12-19(27-8-7-25)20(28-10-9-26-2)13-18(17)22-14-23-21;/h1,4-6,11-14,25H,7-10H2,2H3,(H,22,23,24);1H
• InChIKey: BUOXOWNQZVIETJ-UHFFFAOYSA-N
• SMILES: COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCO.Cl

Desmethyl Erlotinib hydrochloride (OSI-420) is an active metabolite of Erlotinib. Erlotinib is a potent EGFR tyrosin kinase inhibitor[1]. Desmethyl Erlotinib (hydrochloride) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Desmethyl Erlotinib exhibits t1/2 of 11.96±2.01 h in a pharmacokinetic study in Wistar rats[1].

Reference

[1]. Thappali SR, et al. Simultaneous Determination of Celecoxib, Erlotinib, and its Metabolite Desmethyl-Erlotinib (OSI-420) in Rat Plasma by Liquid chromatography/Tandem Mass Spectrometry with Positive/Negative Ion-Switching Electrospray Ionisation.Sci Pharm. 2012 Jul-Sep;80(3):633-46.
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