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Encorafenib (Standard)

CAT: 0804-HY-15605R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15605R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Encorafenib (Standard) is the analytical standard of Encorafenib. This product is intended for research and analytical applications. Encorafenib (LGX818) is a highly potent BRAF inhibitor with selective anti-proliferative and apoptotic activity in cells expressing BRAFV600E (EC50=4 nM) .
CAS Number
1269440-17-6
Product Name Alternative
LGX818 (Standard)
UNSPSC
12352005
Target
Raf; Reference Standards
Type
Reference Standards
Related Pathways
MAPK/ERK Pathway; Others
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/encorafenib-standard.html
Smiles
O=C(OC)N[C@@H](C)CNC1=NC=CC(C2=CN(C(C)C)N=C2C3=CC(Cl)=CC(NS(=O)(C)=O)=C3F)=N1
Molecular Formula
C22H27ClFN7O4S
Molecular Weight
540.01
References & Citations
[2]Li Z, et al. Encorafenib (LGX818), a potent BRAF inhibitor, induces senescence accompanied by autophagy in BRAFV600E melanoma cells. Cancer Lett. 2016 Jan 28;370 (2) :332-44.|[1]Compounds and compositions as protein kinase inhibitors . Patent WO 2011025927 A1
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Encorafenib

Encorafenib, also known as BRAFTOVI, is a kinase inhibitor. Encorafenib inhibits BRAF gene, which encodes for B-raf protein, which is a proto-oncogene involved in various genetic mutations. This protein plays a role in regulating the MAP kinase/ERK signaling pathway, which impacts cell division, differentiation, and secretion. Mutations in this gene, most frequently the V600E mutation, are the most commonly identified cancer-causing mutations in melanoma, and have been isolated in various other cancers as well, including non-Hodgkin lymphoma, colorectal cancer, thyroid carcinoma, non-small cell lung carcinoma, hairy cell leukemia and adenocarcinoma of the lung. On June 27, 2018, the Food and Drug Administration approved encorafenib and [binimetinib] (BRAFTOVI and MEKTOVI, Array BioPharma Inc.) in combination for patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation, as detected by an FDA-approved test.

CAS Number1269440-17-6
PubChem CID50922675
IUPAC Namemethyl N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
Molecular FormulaC22H27ClFN7O4S
Molecular Weight540.0
XLogP2.7
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity836
SMILES
C[C@@H](CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C)NC(=O)OC
InChI
InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1
InChIKey
CMJCXYNUCSMDBY-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Encorafenib
CAS: 1269440-17-6
CID: 50922675
Formula: C22H27ClFN7O4S
MW: 540.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.0
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass539.1517794
Monoisotopic Mass539.1517794
Topological Polar Surface Area149 Ų
Heavy Atom Count36
Formal Charge0
Complexity836
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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