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Encorafenib

CAT: 0013-GTR19159726-07Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159726-07Size:25 mg
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Description
Encorafenib, also known as LGX-818, is an orally available Raf kinase inhibitor with potential antineoplastic activity. LGX818 specifically inhibits Raf kinase, a serine/threonine enzyme in the RAF/mitogen-activated protein kinase kinase (MEK) /extracellular signal-related kinase (ERK) signaling pathway. By inhibiting the activation of the RAF/MEK/ERK signaling pathway, the administration of LGX818 may result in a decrease in proliferation of tumor cells. (In Vitro) :Encorafenib (LGX818) is a potent drug that can prevents diseases or disorders associated with abnormal or deregulated kinase activity, particularly diseases or disorders that involve abnormal activation of B-Raf. Encorafenib (LGX818) (10 nM) suppresses the ERK/MAPK pathway and displays marked inhibition of pERK in A375, G361 and SK-MEL-24 cells. 10 nM Encorafenib (LGX818) treatment for 12 days potently inhibits colony formation in A375, G361 and SK-MEL-24 cells, but not in RPMI7951 and C8161 cells. Encorafenib (LGX818) treatment induces a steady increase in the β-catenin level in G361 cells over time.
CAS Number
1269440-17-6
Product Name Alternative
LGX818 | LGX-818 | LGX 818 | Encorafenib
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO : 50 mg/mL 92.59 mM
Smiles
C[C@@H] (CNC1=NC=CC (=N1) C2=CN (N=C2C3=CC (=CC (=C3F) NS (=O) (=O) C) Cl) C (C) C) NC (=O) OC
Molecular Formula
C22H27ClFN7O4S
Molecular Weight
540.01
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(S) -methyl (1- ((4- (3- (5-chloro-2-fluoro-3- (methylsulfonamido) phenyl) -1-isopropyl-1H-pyrazol-4-yl) pyrimidin-2-yl) amino) propan-2-yl) carbamate.

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

Alternative Products

CatalogName
T6487-01Encorafenib
RM-E225006-01Encorafenib Impurity 6 (R-Isomer Encorafenib)
TRC-E348006-10MGEncorafenib d7
AR-E09816-01Encorafenib-d7
HY-15605R-01Encorafenib (Standard)
CS-O-44796Encorafenib-d8

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