Neratinib | CAS No. 698387-09-6

Neratinib

Basic Information

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CAS Number

698387-09-6

Molecular Formula

C30H29ClN6O3

Molecular Weight

557 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

757°C at 760 mmHg

Density

1.33

SMILES

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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

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

LogP

6.07848

Complexity

881

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

HKI 272
Nerlynx
NSC757439
2-Butenamide, N-(4-((3-chloro-4-(2-pyridinylmethoxy)phenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-
BN164645
Q6995920
(E)-N-(4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
SCHEMBL571762
DTXCID70142623
Neratinib (HKI-272)
NSC-757439
EX-A062
UNII-JJH94R3PWB
AS-16279
s2150
HKI-272
NERATINIB [WHO-DD]
Q-101402
(2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide
(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
(E)-4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide
GTPL5686
CHEMBL180022
BDBM50161957
AKOS025149637
Neratinib [USAN]
NSC-800803
PB 272
HY-32721
NS00069565

MDL Number

MFCD09752958

Customs Code

29334900

FAQ

What is Neratinib (CAS: 698387-09-6)?

Neratinib is a small molecule tyrosine kinase inhibitor with the chemical formula C22H23N5O2. It is known for its ability to block the activity of multiple receptor tyrosine kinases, making it a valuable compound in pharmaceutical research. Neratinib has a molecular weight of 385.44 g/mol and is typically supplied as a white to off-white solid. It is used in the treatment of certain cancers, particularly in oncology, due to its targeted mechanism of action.

What are the main uses of Neratinib (CAS: 698387-09-6)?

Neratinib is primarily used in the treatment of HER2-positive breast cancer, especially in patients who have previously been treated with trastuzumab and pertuzumab. It is also being studied for its potential applications in other cancer types, including non-small cell lung cancer and gastrointestinal cancers. As a pharmaceutical compound, Neratinib is valued for its role in targeted therapy and its ability to inhibit multiple kinases involved in cancer progression.

Is Neratinib (CAS: 698387-09-6) safe?

Neratinib is generally considered safe when used under medical supervision, but it may cause side effects such as diarrhea, nausea, and fatigue. Proper handling and adherence to safety guidelines are essential to minimize risks. It is important to follow recommended protective measures, including wearing gloves and eye protection during handling. Safety standards for Neratinib are established by regulatory bodies to ensure its appropriate use in clinical settings.

How should Neratinib (CAS: 698387-09-6) be stored?

Neratinib should be stored in a cool, dry place away from direct light. It is typically kept at a temperature range of 15°C to 25°C (59°F to 77°F) in a sealed, light-resistant container. Proper storage conditions help maintain its stability and effectiveness. Avoid exposure to moisture and ensure the container is tightly closed to prevent degradation of the compound.