InterPAD - DETAILS

Neratinib, 698387-09-6, HKI-272, Neratinib (HKI-272), Nerlynx, HKI 272, UNII-JJH94R3PWB, JJH94R3PWB, PB-272, (2E)-N-[4-[[3-chloro-4-[(pyridin-2-yl)methoxy]phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide, CDP-820, PB 272, CHEMBL180022, (E)-N-(4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide, (E)-N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide, CHEBI:61397, DTXSID70220132, 698387-09-6 (free base), HKI272, WAY-179272, (2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide, N-(4-(3-Chloro-4-(2-pyridinylmethoxy)anilino)-3-cyano-7-ethoxy-6-quinolyl)-4-(dimethylamino)-2-butenamide, NERATINIB (MART.), NERATINIB [MART.], (2e)-n-(4-((3-chloro-4-((pyridin-2-yl)methoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide, (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide, 2-Butenamide, N-(4-((3-chloro-4-(2-pyridinylmethoxy)phenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-, (2E)-N-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide, Neratinib [USAN], Neratinib [USAN:INN], neratinibum, Neratinib- Bio-X, (2E)-N-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide, (2E)-N-[4-({3-chloro-4-[(pyridin-2-yl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide, NERATINIB [INN], NERATINIB [MI], Neratinib (USAN/INN), NERATINIB [WHO-DD], SCHEMBL571762, SCHEMBL571763, GTPL5686, AMY9255, DTXCID70142623, EX-A062, L10XE45, BCPP000151, BDBM50161957, MFCD09752958, NSC757439, NSC800803, s2150, WAY-179272-B, AKOS005146340, AKOS025149637, BCP9000984, CCG-270036, DB11828, NSC-757439, NSC-800803, NCGC00241101-01, NCGC00241101-03, NCGC00241101-09, AC-25073, AS-16279, BN164645, HY-32721, FT-0696498, N1062, NS00069565, A25338, D08950, EN300-7386009, Q-101402, Q6995920, BRD-K85606544-001-01-8, (E)-4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide, 4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide, HKI-272; PB272;;(2E)-N-[4-[[3-chloro-4-[(pyridin-2-yl)methoxy]phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;HKI-272, N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide, N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide

Name	Neratinib
PubChem CID	9915743
Molecular Weight	557.0g/mol
Synonyms	Neratinib, 698387-09-6, HKI-272, Neratinib (HKI-272), Nerlynx, HKI 272, UNII-JJH94R3PWB, JJH94R3PWB, PB-272, (2E)-N-[4-[[3-chloro-4-[(pyridin-2-yl)methoxy]phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide, CDP-820, PB 272, CHEMBL180022, (E)-N-(4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide, (E)-N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide, CHEBI:61397, DTXSID70220132, 698387-09-6 (free base), HKI272, WAY-179272, (2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide, N-(4-(3-Chloro-4-(2-pyridinylmethoxy)anilino)-3-cyano-7-ethoxy-6-quinolyl)-4-(dimethylamino)-2-butenamide, NERATINIB (MART.), NERATINIB [MART.], (2e)-n-(4-((3-chloro-4-((pyridin-2-yl)methoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide, (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide, 2-Butenamide, N-(4-((3-chloro-4-(2-pyridinylmethoxy)phenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-, (2E)-N-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide, Neratinib [USAN], Neratinib [USAN:INN], neratinibum, Neratinib- Bio-X, (2E)-N-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide, (2E)-N-[4-({3-chloro-4-[(pyridin-2-yl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide, NERATINIB [INN], NERATINIB [MI], Neratinib (USAN/INN), NERATINIB [WHO-DD], SCHEMBL571762, SCHEMBL571763, GTPL5686, AMY9255, DTXCID70142623, EX-A062, L10XE45, BCPP000151, BDBM50161957, MFCD09752958, NSC757439, NSC800803, s2150, WAY-179272-B, AKOS005146340, AKOS025149637, BCP9000984, CCG-270036, DB11828, NSC-757439, NSC-800803, NCGC00241101-01, NCGC00241101-03, NCGC00241101-09, AC-25073, AS-16279, BN164645, HY-32721, FT-0696498, N1062, NS00069565, A25338, D08950, EN300-7386009, Q-101402, Q6995920, BRD-K85606544-001-01-8, (E)-4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide, 4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide, HKI-272; PB272;;(2E)-N-[4-[[3-chloro-4-[(pyridin-2-yl)methoxy]phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;HKI-272, N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide, N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide
Drug Type	Small molecule
Formula	C₃₀H₂₉ClN₆O₃
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	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+
InChIKey	JWNPDZNEKVCWMY-VQHVLOKHSA-N
CAS Number	698387-09-6
ChEMBL ID	CHEMBL180022
ChEBI ID	CHEBI:61397
TTD ID	D0U1ZV
Drug Bank ID	DB11828
KEGG ID	D08950
Toxicity	Organism	Test Type	Route(Dose)
	rat	LD50	intraperitoneal(165 mg/kg)
	mouse	LD50	intraperitoneal(254 mg/kg)
	rat	LD50	oral(322 mg/kg)
Structure			Download 2D MOL 3D MOL

Pair Name	Silibinin, Neratinib
Partner Name	Silibinin
Disease Info	[ICD-11: 2C60]	Breast cancer		Investigative
Biological Phenomena	Induction-->Ferroptosis
Gene Regulation	Up-regulation	Expression	ROS1	hsa6098
In Vitro Model	4T1	Malignant neoplasms of the mouse mammary gland	Mus musculus (Mouse)	CVCL_0125
In Vitro Model	MDA-MB-231	Breast adenocarcinoma	Homo sapiens (Human)	CVCL_0062
Result	N-S Alb NPs had the ability to promote "mixed" type cell death, showed promise in enhancing the payload capabilities and targeting in TNBC.