Neratinib-d6

• CAT Number: S000315
• CAS Number: 1259519-18-0
• Molecular Formula: C30H23D6ClN6O3
• Molecular Weight: 563.08
• Purity: ≥95%
• IUPAC Name: (E)-4-[bis(trideuteriomethyl)amino]-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]but-2-enamide
• InChI: InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+/i2D3,3D3
• InChIKey: JWNPDZNEKVCWMY-CJSPGLJTSA-N
• SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C

Neratinib-d6（Cat No.:S000315） is a deuterated version of neratinib, where six hydrogen atoms are replaced with deuterium, increasing its molecular stability and making it suitable as an analytical standard in mass spectrometry and NMR spectroscopy. Neratinib is an oral tyrosine kinase inhibitor used primarily for treating HER2-positive breast cancer. By incorporating deuterium, neratinib-d6 provides clearer insights into the drug’s metabolic pathways, degradation, and pharmacokinetics. This enhanced stability allows for more precise studies, aiding researchers in understanding how neratinib interacts within the body and how its efficacy and safety profile can be optimized.