Dosimertinib-d5 mesylate

• CAT Number: I042370
• CAS Number: 2403760-72-3
• Molecular Formula: C29H32D5N7O5S
• Molecular Weight: 600.74
• Purity: ≥95%
• Synonyms: 3,3-dideuterio-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanesulfonic acid
• InChI: InChI=1S/C28H33N7O2.CH4O3S/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24;1-5(2,3)4/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32);1H3,(H,2,3,4)/i1D2,5D3
• InChIKey: FUKSNUHSJBTCFJ-FYWAFROVSA-N
• SMILES: CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC.CS(=O)(=O)O

Dosimertinib-d5 mesylate (Cat No.: I042370) is a deuterium-labeled analog of dosimertinib mesylate, an irreversible third-generation EGFR tyrosine kinase inhibitor (TKI) designed to target mutant forms of EGFR, including T790M, commonly found in non-small cell lung cancer (NSCLC). The incorporation of five deuterium atoms enhances metabolic stability and allows for precise quantification in pharmacokinetic and bioavailability studies. The mesylate salt form improves solubility. Dosimertinib-d5 is primarily used as an internal standard in mass spectrometry and drug metabolism research.

Reference

[1]. Meng Y, et al. Discovery of Dosimertinib, a Highly Potent, Selective, and Orally Efficacious Deuterated EGFR Targeting Clinical Candidate for the Treatment of Non-Small-Cell Lung Cancer. J Med Chem. 2021 Jan 28;64(2):925-937.
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