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Description

Neratinib · CAS 698387-09-6 · C30H29ClN6O3. UNII JJH94R3PWB.

Identification

CAS Registry Number	698387-09-6
PubChem CID	9915743
Molecular formula	C30H29ClN6O3
IUPAC name	(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
UNII (FDA)	JJH94R3PWB

Computed Descriptors

Molecular Weight	557.0
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	556.1989665
Monoisotopic Mass	556.1989665
Topological Polar Surface Area	112
Heavy Atom Count	40
Formal Charge	0

Physical description & handling notes

• Neratinib is a tyrosine kinase inhibitor which exhibits antitumor action against Epidermal Growth Factor Receptor (EGFR), HER2, and Human Epidermal Growth Factor Receptor 4 (HER4) postive carcinomas.

Regulatory Status

GHS notification summary	20% (1 / 5)

GHS Hazard Classification

GHS notification summary	20% (1 / 5)
Reported hazard statements	H302 (40%), H312 (40%), H315 (40%), H319 (40%), H332 (40%), H335 (20%), H360 (40%)

Documented Uses

• For use as an extended adjuvant treatment in adult patients with early stage HER2-overexpressed/amplified breast cancer, to follow adjuvant trastuzumab-based therapy.
• Neratinib is an orally available tyrosine kinase receptor inhibitor that is used in the extended adjuvant therapy of early stage breast cancer. Neratinib is associated with a low rate of transient elevations in serum aminotransferase levels during therapy, but has not been convincingly linked to cases of clinically apparent liver injury with jaundice.
• Breast Feeding; Lactation; Antineoplastic Agents; Enzyme Inhibitors; Protein Kinase Inhibitors; Signal Transduction Inhibitors;
• Avoid grapefruit products. Grapefruit inhibits CYP3A metabolism, which may increase the serum concentration of neratinib.
• Exercise caution with St. John's Wort. This herb induces CYP3A metabolism and may reduce serum levels of neratinib.
• Take at the same time every day.

Synonyms

Neratinib; 698387-09-6; HKI-272; HKI 272; JJH94R3PWB; PB-272; CHEBI:61397; CDP-820; PB 272; HKI272; DTXSID70220132; N-(4-(3-Chloro-4-(2-pyridinylmethoxy)anilino)-3-cyano-7-ethoxy-6-quinolyl)-4-(dimethylamino)-2-butenamide; neratinibum; RefChem:56993; DTXCID70142623; L10XE45

Frequently Asked Questions

What are the CAS number and molecular formula of Neratinib?

CAS 698387-09-6; molecular formula C30H29ClN6O3; molecular weight — g/mol.

What other names is Neratinib known by?

Neratinib, 698387-09-6, HKI-272, HKI 272, JJH94R3PWB, PB-272.

Is Neratinib classified as hazardous?

20% of GHS notifications report no hazard classification (1 of 5).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.