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Neratinib Maleate - ≥98%, high purity , CAS No.915942-22-2

COA

Grade & Purity:

≥98%

Cas Number: 915942-22-2
Molecular Weight: 673.1
EC Number: 620-527-5
MDL number: MFCD30607264
PubChem CID: 67307512

In stock

Item Number

N768253

Grouped product items
SKU	Size	Availability	Price	Qty
N768253-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$164.90
N768253-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$575.90

View related series

Receptor Tyrosine Kinase (1260)

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Aminoquinolines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Aminoquinolines and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	4-aminoquinolines
Alternative Parents	Aminophenyl ethers Phenoxy compounds Aniline and substituted anilines N-arylamides Alkyl aryl ethers Aminopyridines and derivatives Chlorobenzenes Unsaturated fatty acids Primary aromatic amines Aryl chlorides Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Nitriles Carboxylic acids Azacyclic compounds Secondary amines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework	Not available
Substituents	4-aminoquinoline - Aminophenyl ether - Phenoxy compound - Phenol ether - N-arylamide - Aniline or substituted anilines - Alkyl aryl ether - Aminopyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Primary aromatic amine - Pyridine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Nitrile - Carbonitrile - Secondary amine - Ether - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Cyanide - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(Z)-but-2-enedioic acid;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
INCHI	InChI=1S/C30H29ClN6O3.C4H4O4/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;5-3(6)1-2-4(7)8/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38);1-2H,(H,5,6)(H,7,8)/b9-7+;2-1-
InChIKey	VXZCUHNJXSIJIM-MEBGWEOYSA-N
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.C(=CC(=O)O)C(=O)O
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.C(=C\C(=O)O)\C(=O)O
Alternate CAS	915942-22-2
PubChem CID	67307512
MeSH Entry Terms	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
Molecular Weight	673.1

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	673.100 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	13
Exact Mass	672.21 Da
Monoisotopic Mass	672.21 Da
Topological Polar Surface Area	187.000 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1000.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	2

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