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Neratinib-[d6]

General Information
Catalog: BLP-004992
CAS: 1259519-18-0
Molecular Formula: C30H23D6ClN6O3
Molecular Weight: 563.08
Chemical Structure
Neratinib-[d6]
Description Neratinib-[d6] is the labelled analogue of Neratinib, which is an orally available tyrosine kinase receptor inhibitor with potential anti-tumor activity.
Synonyms Neratinib D6; (2E)-N-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino-d6)-2-butenamide; HKI 272-d6; Nerlynx-d6
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
Related CAS 698387-09-6 (unlabelled)
Canonical 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
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
InChI Key JWNPDZNEKVCWMY-CJSPGLJTSA-N
Melting Point 97-100°C
Purity ≥96%; ≥99% atom D
Solubility Slightly soluble in DMSO (Heated), Methanol (Heated)
Appearance Light Yellow Solid
Storage Store at 2-8°C

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