Afatinib (BIBW 2992)

Basic Information

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CAS Number

850140-72-6

Molecular Formula

C24H25ClFN5O3

Molecular Weight

485.95 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

102°C

Boiling Point

676.917°C at 760 mmHg

Density

1.380

SMILES

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CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]4CCOC4

InChI

InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1

InChIKey

ULXXDDBFHOBEHA-CWDCEQMOSA-N

LogP

4.389900000000002

Topological Polar Surface Area

88.61000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

702

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

(S,E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
Afatinib E-Isomer
Afatinib
BIBW 2992
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,4-a]pyrazine hydrochloride
BIBW-2992
Tovok
BIBW2992
Tomtovok
Afatinib (BIBW2992)
N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-Butenamide
C24H25ClFN5O3
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
(S,E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide

MDL Number

MFCD12407405

FAQ

What is Afatinib (CAS: 850140-72-6)?

Afatinib, with the CAS number 850140-72-6, is a small molecule inhibitor used primarily in cancer therapy. It has the chemical formula C20H23N5O and is known for its ability to target the epidermal growth factor receptor (EGFR) family. Afatinib is a potent, irreversible inhibitor that is effective against various types of non-small cell lung cancer (NSCLC) and other cancers with specific genetic mutations.

What are the main uses of Afatinib (CAS: 850140-72-6)?

Afatinib (CAS: 850140-72-6) is mainly used in the treatment of non-small cell lung cancer (NSCLC) and other cancers that have specific mutations in the EGFR gene. It is also employed in research for studying kinase inhibition and in pharmaceutical development as a targeted therapy drug. Its applications extend to clinical trials for various malignancies with EGFR overexpression.

Is Afatinib (CAS: 850140-72-6) safe?

Afatinib (CAS: 850140-72-6) is generally safe when used as prescribed, but it may cause side effects such as diarrhea, rash, and liver toxicity. Proper handling and adherence to safety guidelines are essential to minimize risks. It is approved by regulatory bodies like the FDA and should be used under medical supervision to ensure safe administration.

How should Afatinib (CAS: 850140-72-6) be stored?

Afatinib (CAS: 850140-72-6) should be stored in a cool, dry, and dark place, away from moisture and light. It is typically kept at a temperature between 15°C and 25°C. The container should be airtight and properly labeled to maintain stability and prevent contamination.