Introduction：Basic information about CAS 1269440-17-6|LGX 818, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | LGX 818 |
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| CAS Number | 1269440-17-6 | Molecular Weight | 540.011 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | / |
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| Molecular Formula | C22H27ClFN7O4S | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | methyl 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 |
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| Synonym | More Synonyms |
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LGX 818 BiologicalActivity
| Description | Encorafenib (LGX818) is a highly potent RAF inhibitor with selective anti-proliferative and apoptotic activity in cells expressing BRAFV600E (EC50=4 nM). |
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| Related Catalog | Signaling Pathways >>MAPK/ERK Pathway >>RafResearch Areas >>Cancer |
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| Target | IC50: 0.3 nM (BRafV600E) |
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| 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[1]. 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[2]. |
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| References | [1]. Compounds and compositions as protein kinase inhibitors. Patent WO 2011025927 A1 [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. |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Molecular Formula | C22H27ClFN7O4S |
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| Molecular Weight | 540.011 |
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| Exact Mass | 539.151794 |
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| PSA | 152.00000 |
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| LogP | 2.56 |
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| Index of Refraction | 1.641 |
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| InChIKey | CMJCXYNUCSMDBY-ZDUSSCGKSA-N |
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| SMILES | COC(=O)NC(C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1 |
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| Storage condition | -20℃ |
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| Water Solubility | Insuluble (7.0E-4 g/L) (25 ºC) |
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Synonyms
| LGX-818 |
| Encorafenib |
| NVP-LGX818-NXA |
| LGX818 |
| Encorafenib (LGX818) |
| 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 |
| T6N CNJ BM1Y1&MVO1& D- DT5NNJ AY1&1 CR CG FF EMSW1 &&S Form |
| UNII-8L7891MRB6 |
| Carbamic acid, N-[(1S)-2-[[4-[3-[5-chloro-2-fluoro-3-[(methylsulfonyl)amino]phenyl]-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-, methyl ester |
| (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 |
| Methyl [(2S)-1-{[4-(3-{5-chloro-2-fluoro-3-[(methylsulfonyl)amino]phenyl}-1-isopropyl-1H-pyrazol-4-yl)-2-pyrimidinyl]amino}-2-propanyl]carbamate |
