Vemurafenib | CAS No. 918504-65-1

Vemurafenib

Basic Information

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CAS Number

918504-65-1

Molecular Formula

C23H18ClF2N3O3S

Molecular Weight

489.93 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Density

1.46

SMILES

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CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)

InChIKey

GPXBXXGIAQBQNI-UHFFFAOYSA-N

LogP

5.544200000000004

Topological Polar Surface Area

91.92 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

790

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

N-(3-(5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide
Vemurafenib (PLX4032, RG7204)
PLX4032
PLX-4032
PLX-4032 (RG7024)
PLX4032 (Vemurafenib)
R7204
Vemurafenib
Vemurafenib (PLX4032)
Vemurafenib(PLX4032,RG7204,RO5185426,Zelboraf®)
PLX4032, RG7204, ZELBORAF, RO5185426
RG7204
RO5185426
Zelboraf
PLX 4032
RG 7204
RO 5185426
N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
207SMY3FQT
NSC761431
1-PROPANESULFONAMIDE, N-[3-[[5-(4-CHLOROPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN
N-[3-[[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide (ACI)
Propane-1-sulfonic acid [3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]amide
Ro 51-85426
N-(3-(5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide
Vemurafenib;PLX-4032
[(2S,5R)-2,5-Dimethyl-4-[(tetrahydro-2H-pyran-4-yl)methyl]-1-piperazinyl][3-[(5-fluoro-2-methyl-4-pyrimidinyl)amino]-4,6-dihydro-6,6 -dimethylpyrrolo[3,4-c]pyrazol-5(1H)-yl]methanone
N-[3-[[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-1-PropanesulfonaMide
NCGC00250399-01
BCP25783
EN300-23265091

MDL Number

MFCD18074504

Customs Code

2935009090

FAQ

What is Vemurafenib (CAS: 918504-65-1)?

Vemurafenib is a selective BRAF inhibitor used primarily in the treatment of melanoma. Its chemical formula is C20H22N2O2, and it is a white to off-white solid at room temperature. It exhibits good solubility in dimethyl sulfoxide and has a molecular weight of 326.39 g/mol. Vemurafenib is known for its targeted therapy approach against BRAF V600E mutant tumors.

What are the main uses of Vemurafenib (CAS: 918504-65-1)?

Vemurafenib is mainly used in oncology to treat advanced melanoma, particularly in patients with BRAF V600E mutations. It is also utilized in research for studying BRAF inhibition and its effects on cancer cell proliferation. Additionally, it may have potential applications in other therapeutic areas, though clinical use is primarily focused on dermatology and oncology.

Is Vemurafenib (CAS: 918504-65-1) safe?

Vemurafenib is generally considered safe when used as directed in medical settings. However, it may cause side effects such as skin rash, photosensitivity, and gastrointestinal issues. Proper handling, including the use of protective gloves and avoiding direct sunlight, is recommended to minimize risks. Safety standards are in place to ensure its appropriate use in targeted cancer therapies.

How should Vemurafenib (CAS: 918504-65-1) be stored?

Vemurafenib should be stored in a cool, dry place away from light. It is recommended to keep it at a temperature between 2°C to 8°C. Storage in airtight containers is essential to maintain its stability and prevent contamination. Avoid exposure to moisture and ensure it is kept in a secure location to preserve its potency and effectiveness.