Neratinib

Base Information

Chemical Name:Neratinib
CAS No.:876310-02-0
Deprecated CAS:736156-77-7
Molecular Formula:C30H29ClN6O3
Molecular Weight:557.052
Hs Code.:
European Community (EC) Number:811-237-1
UNII:JJH94R3PWB
DSSTox Substance ID:DTXSID70220132
Nikkaji Number:J2.688.659G
Wikipedia:Neratinib
Wikidata:Q6995920
NCI Thesaurus Code:C49094
RXCUI:1940643
Pharos Ligand ID:V4KPNPBCJPMY
Metabolomics Workbench ID:152922
ChEMBL ID:CHEMBL180022
Mol file:876310-02-0.mol

Synonyms:HKI 272;HKI-272;HKI272;N-(4-(3-chloro-4-(2-pyridinylmethoxy)anilino)-3-cyano-7-ethoxy-6-quinolyl)-4-(dimethylamino)-2-butenamide;neratinib;neratinib maleate;Nerlynx

Suppliers and Price of Neratinib

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Neratinib

Chemical Property:

PSA：112.40000
LogP:6.07848
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:556.1989665
Heavy Atom Count:40
Complexity:881

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Drug Classes:Antineoplastic Agents
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
Isomeric SMILES:CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)/C=C/CN(C)C
Recent ClinicalTrials:INdividualized Screening Trial of Innovative Glioblastoma Therapy (INSIGhT)
Recent EU Clinical Trials:Phase II Study of Neratinib and Trastuzumab +/- Vinorelbine p.o.

Technology Process of Neratinib

There total 1 articles about Neratinib which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.37%

: 3964-52-1
2-chloro 4-aminophenol

: 6959-47-3
2-chloromethylpyridine hydrochloride

: 848133-88-0
4-chloro-6-(5-(dimethylamino)-2-oxopent-3-enyl)-7-ethoxyquinoline-3-carbonitrile

: 876310-02-0
neratinib

Guidance literature:: 2-chloro 4-aminophenol; 2-chloromethylpyridine hydrochloride; 4-chloro-6-(5-(dimethylamino)-2-oxopent-3-enyl)-7-ethoxyquinoline-3-carbonitrile; In tetrahydrofuran; at 65 ℃; for 4h; Inert atmosphere;

With potassium carbonate; sodium iodide; In tetrahydrofuran; water; at 65 ℃; for 16h; Reagent/catalyst;