N-desmethyl Imatinib

N-desmethyl Imatinib is a major active metabolite of imatinib (Cay-13139), an anticancer agent that selectively targets tyrosine kinases, including Bcr-ABL, platelet-derived growth factor receptor (PDGFR), and KIT. N-desmethyl Imatinib is formed when imatinib undergoes demethylation by the cytochrome P450 (CYP) isomer CYP3A4. N-desmethyl Imatinib has the same in vitro potency at Bcr-ABL kinase as imatinib (IC50 = 38 nM for both) but is only present in plasma at 10-15% of the levels of imatinib, indicating the majority of the anticancer activity can be attributed to the parent compound.Formal Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-(1-piperazinylmethyl)-benzamide. CAS Number: 404844-02-6. Synonyms: N-desmethyl Gleevec, STI-509-00. Molecular Formula: C28H29N7O. Formula Weight: 479.6. Purity: >95%. Formulation: (Request formulation change), A lyophilized solid. Solubility: DMF: 16 mg/ml, DMF:PBS (pH 7.2) (1:4): 0.20 mg/ml, DMSO: 14 mg/ml, Ethanol: 0.20 mg/ml. lambdamax: 237, 270 nm. SMILES: O=C(NC1=CC=C(C)C(NC2=NC(C3=CC=CN=C3)=CC=N2)=C1)C(C=C4)=CC=C4CN5CCNCC5. InChi Code: InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34). InChi Key: BQQYXPHRXIZMDM-UHFFFAOYSA-N.