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Vemurafenib (Standard)

CAT: 0804-HY-12057R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12057R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Vemurafenib (Standard) is the analytical standard of Vemurafenib. This product is intended for research and analytical applications. Vemurafenib (PLX4032) is a first-in-class, selective, potent inhibitor of B-RAF kinase, with IC50s of 31 and 48 nM for RAFV600E and c-RAF-1, respectively[1][4]. Vemurafenib induces cell autophagy[5].
CAS Number
918504-65-1
Product Name Alternative
PLX4032 (Standard) ; RG7204 (Standard) ; RO5185426 (Standard)
UNSPSC
12352005
Target
Autophagy; Raf; Reference Standards
Type
Reference Standards
Related Pathways
Autophagy; MAPK/ERK Pathway; Others
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/vemurafenib-standard.html
Smiles
FC1=CC=C(C(F)=C1C(C2=CNC3=NC=C(C=C32)C4=CC=C(C=C4)Cl)=O)NS(CCC)(=O)=O
Molecular Formula
C23H18ClF2N3O3S
Molecular Weight
489.92
References & Citations
[1]Bollag G, et al. Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma. Nature, 2010, 467 (7315), 596-599.|[2]Yang H, et al. RG7204 (PLX4032), a selective BRAFV600E inhibitor, displays potent antitumor activity in preclinical melanoma models. Cancer Res, 2010, 70 (13), 5518-5527.|[3]Prahallad A, et al. Unresponsiveness of colon cancer to BRAF (V600E) inhibition through feedback activation of EGFR. Nature, 2012, 483 (7387), 100-103.|[4]Shelledy L, et al. Vemurafenib: First-in-Class BRAF-Mutated Inhibitor for the Treatment of Unresectable or MetastaticMelanoma. J Adv Pract Oncol. 2015 Jul-Aug;6 (4) :361-5.|[5]Wang W, et al. Targeting Autophagy Sensitizes BRAF-Mutant Thyroid Cancer to Vemurafenib.J Clin Endocrinol Metab. 2017 Feb 1;102 (2) :634-643.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Vemurafenib

Vemurafenib is a pyrrolopyridine that is 1H-pyrrolo[2,3-b]pyridine which is substituted at position 5 by a p-chlorophenyl group and at positions 3 by a 3-amino-2,6-difluorobenzoyl group, the amino group of which has undergone formal condensation with propane-1-sulfonic acid to give the corresponding sulfonamide. An inhibitor of BRAF and other kinases. It has a role as an antineoplastic agent and a B-Raf inhibitor. It is a sulfonamide, a difluorobenzene, a pyrrolopyridine, an aromatic ketone and a member of monochlorobenzenes.

CAS Number918504-65-1
PubChem CID42611257
IUPAC NameN-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
Molecular FormulaC23H18ClF2N3O3S
Molecular Weight489.9
XLogP5
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity790
SMILES
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
Chemical Structure
2D Structure
2D structure of Vemurafenib
CAS: 918504-65-1
CID: 42611257
Formula: C23H18ClF2N3O3S
MW: 489.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.9
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass489.0725466
Monoisotopic Mass489.0725466
Topological Polar Surface Area100 Ų
Heavy Atom Count33
Formal Charge0
Complexity790
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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