Products for Research Use Only
RegisterLogin

Neratinib pyridine N-oxide

CAT: 0931-T70829-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T70829-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1376619-94-1
Target
Others
Related Pathways
Others
Bioactivity
Neratinib pyridine N-oxide is an irreversible inhibitor of the HER-2 receptor tyrosine kinase with potential antineoplastic activity.
Smiles
N(C=1C2=C(C=C(OCC)C(NC(/C=C/CN(C)C)=O)=C2)N=CC1C#N)C3=CC(Cl)=C(OCC=4N(=O)=CC=CC4)C=C3
Molecular Formula
C30H29ClN6O4
Molecular Weight
573.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Neratinib pyridine N-oxide
CAS Number1376619-94-1
PubChem CID131634109
IUPAC Name(E)-N-[4-[3-chloro-4-[(1-oxidopyridin-1-ium-2-yl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
Molecular FormulaC30H29ClN6O4
Molecular Weight573.0
XLogP3.9
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity915
SMILES
CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=[N+]4[O-])Cl)C#N)NC(=O)/C=C/CN(C)C
InChI
InChI=1S/C30H29ClN6O4/c1-4-40-28-16-25-23(15-26(28)35-29(38)9-7-12-36(2)3)30(20(17-32)18-33-25)34-21-10-11-27(24(31)14-21)41-19-22-8-5-6-13-37(22)39/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,33,34)(H,35,38)/b9-7+
InChIKey
CDFDEPYFRKSPTL-VQHVLOKHSA-N
Chemical Structure
2D Structure
2D structure of Neratinib pyridine N-oxide
CAS: 1376619-94-1
CID: 131634109
Formula: C30H29ClN6O4
MW: 573.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.0
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass572.1938811
Monoisotopic Mass572.1938811
Topological Polar Surface Area125 Ų
Heavy Atom Count41
Formal Charge0
Complexity915
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T70830-01Neratinib dimethylamine N-oxide
T2325-01Neratinib
T67385-01Neratinib maleate
T71387-01Neratinib maleate monohydrate
TSH-00132-01N, N-Dimethyldecylamine N-oxide
T40512Echimidine N-oxide
T124559-01Fumaritine N-oxide
T123864-01Lycopsamine N-oxide
T11351-01Galanthamine N-Oxide
T126510-01Crebanine N-oxide

Alternative Products

CatalogName
RM-N051816-01Neratinib Pyridine N-Oxide
CS-P-08336Neratinib pyridine N-oxide (M3)
TRC-N390190-50MGNeratinib Pyridine-N-oxide (M3)
CS-O-51244Neratinib quinoline N-oxide
MBS5813372Neratinib dimethylamine N-oxide
TRC-N390088-25MGNeratinib Dimethylamine-N-oxide (M7)
CS-O-57034Neratinib Bis-N-Oxide (M11)
AR-N09000-01Neratinib dimethylamine N-oxide (M7)
sc-250817Pyridine N-oxide
286398-01Pyridine-N-oxide

Popular Products