Vemurafenib

Description

Vemurafenib · CAS 1029872-54-5 · C23H18ClF2N3O3S. UNII 207SMY3FQT. Melting Point: 272°C; Solubility: <1 mg/mL; LogP: 5.1.

Identification

CAS Registry Number	1029872-54-5
PubChem CID	42611257
Molecular formula	C23H18ClF2N3O3S
IUPAC name	N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
UNII (FDA)	207SMY3FQT

Computed Descriptors

Molecular Weight	489.9
XLogP3	5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	489.0725466
Monoisotopic Mass	489.0725466
Topological Polar Surface Area	100
Heavy Atom Count	33
Formal Charge	0

Physical & Chemical Properties

Melting Point	272°C
Solubility	<1 mg/mL
LogP	5.1
Dissociation Constants	7.1

Physical description & handling notes

• White to off-white crystalline solid
• Practically insoluble in aqueous media
• Stable if stored as directed; avoid strong oxidizing agents
• Dangerous products of decomposition: thermal ecomposition may produce toxic gases such as carbon monoxide, carbon dioxide, and nitrogen oxides.
• Oral: Tablets, film-coated: 240 mg, Zelboraf (Genentech).

GHS Hazard Classification

Reported hazard statements	H410 (100%), H302 (100%), H350 (100%), H361 (100%), H373 (100%), H413 (100%)

Documented Uses

• Vemurafenib is a selective inhibitor of BRAF kinase that is used in the therapy of patients with metastatic and advanced malignant melanoma. Vemurafenib therapy is commonly associated with transient elevations in serum aminotransferase during therapy and has been linked to rare, but occasionally severe cases of clinically apparent acute liver injury.
• Breast Feeding; Lactation; Antineoplastic Agents; Enzyme Inhibitors; Protein Kinase Inhibitors; Signal Transduction Inhibitors; Tyrosine Kinase Inhibitors;
• Vemurafenib is approved to treat patients whose cancer has a certain mutation in the BRAF gene, including:
• • Melanoma that cannot be removed by surgery or has spread to other parts of the body.
• Vemurafenib is also being studied in the treatment of other types of cancer.
• Vemurafenib is used for the treatment of unresectable or metastatic melanoma with BRAF V600E mutation. Vemurafenib is designated an orphan drug by the US Food and Drug Administration (FDA) for the treatment of this cancer. An FDA-approved diagnostic test (e.g., cobas 4800 BRAF V600 Mutation Test) is required to confirm the presence of the BRAF V600E mutation prior to initiation of therapy. /Included in US product label/

Synonyms

Vemurafenib; 918504-65-1; Zelboraf; PLX-4032; PLX 4032; RG7204; RG 7204; RO 5185426; 207SMY3FQT; vemurafenibum; N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide; RG-7204; Ro 51-85426; RO-5185426; RO-51-85426; CHEBI:63637

Frequently Asked Questions

What are the CAS number and molecular formula of Vemurafenib?

CAS 1029872-54-5; molecular formula C23H18ClF2N3O3S; molecular weight — g/mol.

What other names is Vemurafenib known by?

Vemurafenib, 918504-65-1, Zelboraf, PLX-4032, PLX 4032, RG7204.

Is Vemurafenib classified as hazardous?

Hazard statements reported: H410, H302, H350, H361, H373.

What are the key physical properties of Vemurafenib?

Melting Point: 272°C; Solubility: <1 mg/mL; LogP: 5.1; Dissociation Constants: 7.1.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.