Encorafenib (LGX818)

Base Information

Chemical Name:Encorafenib (LGX818)
CAS No.:1269440-17-6
Molecular Formula:C22H27ClFN7O4S
Molecular Weight:540.018
Hs Code.:
Mol file:1269440-17-6.mol

Synonyms:LGX 818;LGX818;LGX-818;(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

Suppliers and Price of Encorafenib (LGX818)

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
LGX 818
500ug
$ 368.00

TRC
LGX818
0.5mg
$ 90.00

Medical Isotopes, Inc.
LGX818
0.5 mg
$ 650.00

DC Chemicals
LGX-818(Encorafenib) >98%
250 mg
$ 1750.00

Crysdot
LGX818 98+%
10mg
$ 198.00

ChemScene
Encorafenib 99.63%
25mg
$ 190.00

ChemScene
Encorafenib 99.63%
50mg
$ 290.00

ChemScene
Encorafenib 99.63%
1mg
$ 50.00

ChemScene
Encorafenib 99.63%
10mg
$ 120.00

ChemScene
Encorafenib 99.63%
5mg
$ 90.00

Total 33 raw suppliers

Chemical Property of Encorafenib (LGX818)

Chemical Property:

PKA:5.94±0.10(Predicted)
PSA：152.00000
Density:1.45±0.1 g/cm3(Predicted)
LogP:5.33960
Storage Temp.:-20°C Freezer, Under inert atmosphere
Solubility.:DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

LGX 818 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Description Encorafenib (LGX818) is a new-generation BRAF inhibitor that is under evaluation in clinical trials. However, the underlying mechanism remains to be elucidated. Here we show that LGX818 potently decreased ERK phosphorylation and inhibited proliferation in BRAFV600E melanoma cell lines. Moreover, LGX818 downregulated CyclinD1 in a glycogen synthase kinase 3β-independent manner and induced cell cycle arrest in the G1 phase.
Uses LGX 818 is potent and selective BRAFV600E kinase inhibitor and can be used for the treatment of proliferative diseases such as solid tumor diseases.
Clinical Use Encorafenib (LGX818) is a new-generation BRAF inhibitor. It is currently under investigation in clinical trials for the treatment of BRAF mutant metastatic melanoma patients . LGX818 induces sustained mitogen-activated protein kinase (MAPK) pathway inhibition and has selective anti-proliferative and apoptotic activity in cells expressing BRAFV600E. However, the mechanism by which LGX818 suppresses BRAF mutant melanoma cell proliferation has not been thoroughly investigated.

Technology Process of Encorafenib (LGX818)

There total 17 articles about Encorafenib (LGX818) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 1269440-99-4
(S)-methyl 1-(4-(3-(5-chloro-2-fluoro-3-(N-(methylsulfonyl)methylsulfonamido)phenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-ylamino)propan-2-ylcarbamate

: 1269440-17-6
methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamate

Guidance literature:: (S)-methyl 1-(4-(3-(5-chloro-2-fluoro-3-(N-(methylsulfonyl)methylsulfonamido)phenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-ylamino)propan-2-ylcarbamate; With sodium hydroxide; In 2-methyltetrahydrofuran; water; at 20 - 23 ℃; for 0.5h;

With hydrogenchloride; In 2-methyltetrahydrofuran; water; pH=6 - 6.5;

With sodium hydrogencarbonate; In 2-methyltetrahydrofuran; water; pH=8.5;

Reference yield:

: 1269440-76-7
(S)-methyl 1-(4-(3-(3-amino-2-chloro-5-fluorophenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-ylamino)propan-2-ylcarbamate

: 124-63-0
methanesulfonyl chloride

: 1269440-17-6
methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamate

Guidance literature:: With pyridine; In dichloromethane; at 20 ℃; for 16h;

Reference yield:

: 1996-30-1
2-bromo-4-chloro-1-fluorobenzene

: 1269440-17-6
methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamate

Guidance literature:: Multi-step reaction with 7 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / -78 °C

1.2: -78 - 20 °C

2.1: diphenylphosphoranyl azide; triethylamine / toluene / 2 h / 75 - 84 °C

2.2: 0.25 h / 35 °C

3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate / 1,4-dioxane / 16 h / 100 °C

4.1: sodium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / ethanol; water; toluene / 16 h / 80 °C

5.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C

6.1: triethylamine / 2-methyltetrahydrofuran / -5 - 20 °C

6.2: pH 6 - 6.5

6.3: 0.17 h / 20 °C / pH 7 - 7.5

7.1: sodium hydroxide / 2-methyltetrahydrofuran; water / 0.5 h / 20 - 23 °C

7.2: pH 6 - 6.5

7.3: pH 8.5

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; diphenylphosphoranyl azide; potassium acetate; sodium carbonate; triethylamine; trifluoroacetic acid; sodium hydroxide; lithium diisopropyl amide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; 2-methyltetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; water; toluene;