Neratinib | 2023

Cell-permeable. A second-generation inhibitor of the ErbB family of receptor kinases. Neratinib acts as an irreversible inhibitor of the epidermal growth factor receptor (EGFR) and human epidermal growth factor receptor 2 (HER-2) tyrosine kinases by targeting a cysteine residue in the ATP-binding site of the receptor. It inhibits the proliferation of HER-2 overexpressing human breast cancer cell lines and EGFR-dependent cells in vitro.

Neratinib is a second-generation inhibitor of the ErbB family of receptor kinases. Neratinib acts as an irreversible inhibitor of the epidermal growth factor receptor (EGFR) and human epidermal growth factor receptor 2 (HER-2) tyrosine kinases by targeting a cysteine residue in the ATP-binding site of the receptor.

2023 | Neratinib DataSheet

Alternate Name/Synonyms: HKI-272

Appearance: Off-white to pale yellow solid

Formulation: N/A

CAS Number: 698387-09-6

Structure Available?: Yes

Peptide sequence: N/A

Salt Form: No

Molecular Formula: C₃₀H₂₉ClN₆O₃

Molecular Weight: 557.04

Cell-Permeable?: Yes

Purity: ≥98% by HPLC

Solubilities: DMSO (~ 2 mg/ml)

Handling: Protect from air and moisture

Country of Origin: USA

Tag Line: A potent erbB family receptor tyrosine kinase inhibitor

MDL Number: MFCD09752958

PubChem CID: 9915743

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+

InChi Key: JWNPDZNEKVCWMY-VQHVLOKHSA-N