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CAS RN 698387-09-6

CH3ONHNONClNNHONH3CCH3(E/Z)

CAS RN 698387-09-6

IUPAC Name: N-[4-({3-chloro-4-[(pyridin-2-yl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
Synonyms: neratinib
Molecular Weight (g/mol): 557.05
Molecular Formula: C30H29ClN6O3
InChi Key: JWNPDZNEKVCWMY-UHFFFAOYSA-N
SMILES: CCOC1=C(NC(=O)C=CCN(C)C)C=C2C(NC3=CC(Cl)=C(OCC4=CC=CC=N4)C=C3)=C(C=NC2=C1)C#N
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1

Neratinib

CAS: 698387-09-6 Molecular Formula: C30H29ClN6O3 Molecular Weight (g/mol): 557.05 InChI Key: JWNPDZNEKVCWMY-UHFFFAOYSA-N IUPAC Name: N-[4-({3-chloro-4-[(pyridin-2-yl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide SMILES: CCOC1=C(NC(=O)C=CCN(C)C)C=C2C(NC3=CC(Cl)=C(OCC4=CC=CC=N4)C=C3)=C(C=NC2=C1)C#N

CAS 698387-09-6
Molecular Weight (g/mol) 557.05
SMILES CCOC1=C(NC(=O)C=CCN(C)C)C=C2C(NC3=CC(Cl)=C(OCC4=CC=CC=N4)C=C3)=C(C=NC2=C1)C#N
IUPAC Name N-[4-({3-chloro-4-[(pyridin-2-yl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
InChI Key JWNPDZNEKVCWMY-UHFFFAOYSA-N
Molecular Formula C30H29ClN6O3
2

Neratinib, TRC

CAS: 698387-09-6 Chemical Name or Material: Neratinib Formula Weight: 556.199 InChI Formula: 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+ IUPAC Name: (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide Molecular Formula: C30 H29 Cl N6 O3 Molecular Weight (g/mol): 557.04 Recommended Storage: 4°C SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Synonym: 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,(E)-N-[4-[3-Chloro-4-[(2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide,(E)-N-[4-[[3-Chloro-4-((pyridin-2-yl)methoxy)phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)-2-butenamide,HKI 272,Neratinib

CAS 698387-09-6
Molecular Weight (g/mol) 557.04
InChI Formula 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+
Chemical Name or Material Neratinib
Synonym 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,(E)-N-[4-[3-Chloro-4-[(2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide,(E)-N-[4-[[3-Chloro-4-((pyridin-2-yl)methoxy)phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)-2-butenamide,HKI 272,Neratinib
SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Recommended Storage 4°C
Molecular Formula C30 H29 Cl N6 O3
IUPAC Name (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
Formula Weight 556.199
3

Tocris Bioscience™ Neratinib
GREENER_CHOICE

Potent HER2 receptor tyrosine kinase and EGFR kinase inhibitor

Target EGF Receptor Inhibitors
CAS 698387-09-6
Purity 0.98
Chemical Name or Material (2 E)-N-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
Recommended Storage Store at -20°C
Molecular Formula C30H29ClN6O3
4

Neratinib, MedChemExpress

MedChemExpress Neratinib (HKI-272) is an orally available, irreversible, highly selective HER2 and EGFR inhibitor with IC50s of 59 nM and 92 nM, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 557.04
Color Light Yellow
Physical Form Solid
Chemical Name or Material Neratinib
Grade Research
SMILES ClC1=C(OCC2=NC=CC=C2)C=CC(NC3=C(C#N)C=NC4=CC(OCC)=C(NC(/C=C/CN(C)C)=O)C=C43)=C1
For Use With (Application) Cancer-Kinase/protease
Percent Purity 96.08%
CAS 698387-09-6
Solubility Information DMSO : 13.33 mg/mL (23.93 mM; Need ultrasonic)
Health Hazard 1 H302
Synonym HKI-272
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C30H29ClN6O3
Formula Weight 557.04