Neratinib

Neratinib
Systematic (IUPAC) name
	(2E)-N-[4-[[3-Chloro-4-[(pyridin-2-yl)methoxy]phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
Clinical data
Routes of; administration	Oral
Identifiers
CAS Number	698387-09-6
ATC code	none
PubChem	CID: 9915743
IUPHAR/BPS	5686
ChemSpider	8091392
UNII	JJH94R3PWB
KEGG	D08950
ChEMBL	CHEMBL180022
Chemical data
Formula	C30H29ClN6O3
Molecular mass	557.04 g/mol
	SMILES O=C(/C=C/CN(C)C)Nc4cc1c(ncc(C#N)c1Nc3ccc(OCc2ncccc2)c(Cl)c3)cc4OCC ;
	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+ ; Key:JWNPDZNEKVCWMY-VQHVLOKHSA-N ;
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Neratinib (HKI-272) is a tyrosine kinase inhibitor^[1]^[2] under investigation for the treatment of breast cancer^[3] and other solid tumours.

It is in development for the treatment of early- and late-stage HER2-positive breast cancer.^[4]

Clinical trials

Neratanib is being developed by Puma Biotechnology. It will be included in the forthcoming I-SPY2 breast cancer trial.^[6]

Neratinib inhibits the epidermal growth factor receptor by covalently binding with a cysteine side chain in that protein.^[7]

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↑ Clinical trial number NCT00398567 for "A Phase 1/2 Study Of HKI-272 In Combination With Herceptin In Subjects With Advanced Breast Cancer" at ClinicalTrials.gov
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↑ http://www.reuters.com/article/idUSN1612347120100317 "Breast cancer study aims to speed drugs, cooperation" March 2010
↑ http://www.biomedicale.univ-paris5.fr/enseignement/toxico/M2THERV_2013_2014/documents/C15/DANSETTE/EH_CB_RM_M2/CovalentDrug_Baillie_nrd3410.pdf

Systematic (IUPAC) name

(2E)-N-[4-[[3-Chloro-4-[(pyridin-2-yl)methoxy]phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
Clinical data
Routes of administration	Oral
Identifiers
CAS Number	698387-09-6^N
ATC code	none
PubChem	CID: 9915743
IUPHAR/BPS	5686
ChemSpider	8091392^Y
UNII	JJH94R3PWB^Y
KEGG	D08950^Y
ChEMBL	CHEMBL180022^Y
Chemical data
Formula	C₃₀H₂₉ClN₆O₃
Molecular mass	557.04 g/mol
SMILES O=C(/C=C/CN(C)C)Nc4cc1c(ncc(C#N)c1Nc3ccc(OCc2ncccc2)c(Cl)c3)cc4OCC
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+^Y Key:JWNPDZNEKVCWMY-VQHVLOKHSA-N^Y

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