Linifanib | CAS No. 796967-16-3

Linifanib

Basic Information

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CAS Number

796967-16-3

Molecular Formula

C21H18FN5O

Molecular Weight

375.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

Basic Physical Properties

Melting Point

180-183°C (dec.)

Density

1.424

SMILES

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CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N

InChI

InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)

InChIKey

MPVGZUGXCQEXTM-UHFFFAOYSA-N

LogP

4.903620000000003

Topological Polar Surface Area

95.83000000000001 Å²

Hydrogen Bond Donor/Acceptor

5 / 6

Complexity

541

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Kinome_532
BCPP000446
CS-0115
ABT-869,Linifanib
LINIFANIB [WHO-DD]
LINIFANIB [INN]
AL39324
N-(4-(3-Amino-1H-indazol-4-yl)phenyl)-N1-(2-fluoro-5-methylphenyl)urea
HMS3244D10
N-[4-(3-amino-1H-indazol-4-yl)phenyl]-N'-(2-fluoro-5-methylphenyl)urea
HMS3244D14
NSC-800783
RG3635
AKOS015919098
NSC800783
796967-16-3
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methyl-phenyl)urea
AC-24279
ABT-869
Linifanib [USAN:INN]
BCP9000220
MPVGZUGXCQEXTM-UHFFFAOYSA-N
AL 39324
UNII-CO93X137CW
Linifanib (GMP)
HY-50751G
EX-A014
linifanibum
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(2-fluoro-5-methylphenyl)urea
BDBM21079
CO93X137CW

MDL Number

MFCD11840918

FAQ

What are the physical and chemical properties of Linifanib (CAS: 796967-16-3)?

Linifanib (CAS: 796967-16-3) is a crystalline compound with a molecular weight of approximately 373.33 g/mol. It has a melting point of about 140°C and is sparingly soluble in water but soluble in organic solvents such as DMSO and methanol. Linifanib is a potent inhibitor of multiple receptor tyrosine kinases, including VEGFR, PDGFR, and FGFR. It is reactive towards electrophiles and can undergo hydrolysis under basic conditions.

How is Linifanib (CAS: 796967-16-3) typically synthesized?

Linifanib (CAS: 796967-16-3) can be synthesized through multi-step organic synthesis involving protection, functional group manipulation, and coupling reactions. Commonly used catalysts include palladium and copper complexes. The synthetic route typically involves the formation of key intermediate linkages and subsequent derivatization steps. The overall yield of the synthesis is around 40-50%, with high selectivity towards the desired product.

What industries use Linifanib (CAS: 796967-16-3)?

Linifanib (CAS: 796967-16-3) is primarily used in the pharmaceutical industry for the treatment of certain types of cancer, such as renal cell carcinoma and gastrointestinal stromal tumors. It is also explored for its potential applications in other medical fields, including ophthalmology. Linifanib has shown promise in the development of new drug delivery systems and biosensors.

What precautions should be taken when handling Linifanib (CAS: 796967-16-3)?

When handling Linifanib (CAS: 796967-16-3), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risk. Spills should be cleaned up immediately using appropriate absorbents. Ensure proper ventilation and store the compound in a cool, dry place away from heat and direct sunlight. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.