Introduction：Basic information about CAS 918504-27-5|B-Raf IN 11, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | B-Raf IN 11 |
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| CAS Number | 918504-27-5 | Molecular Weight | 458.27700 |
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| Density | / | Boiling Point | 634.2°C |
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| Molecular Formula | C17H14BrF2N3O3S | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide |
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| Synonym | More Synonyms |
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B-Raf IN 11 BiologicalActivity
| Description | B-Raf IN 11 (ZINC72115182) is a selective B-RafV600E inhibitor (IC50=76 nM), shows selectivity for B-RafV600E over B-RafWT with selectivity of 3.1-fold. B-Raf IN 11 can be used in colorectal cancer research[1] |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>MAPK/ERK Pathway >>Raf |
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| Target | B-RafV600E:76 nM (IC50) BRAFWT:238 nM (IC50) |
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| References | [1]. Yao H, et al. Identification and Characterization of Small-Molecule Inhibitors to Selectively Target the DFG-in over the DFG-out Conformation of the B-Raf Kinase V600E Mutant in Colorectal Cancer. Arch Pharm (Weinheim). 2016 Oct;349(10):808-815. |
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Chemical & Physical Properties
| Boiling Point | 634.2°C |
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| Molecular Formula | C17H14BrF2N3O3S |
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| Molecular Weight | 458.27700 |
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| Exact Mass | 456.99100 |
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| PSA | 100.30000 |
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| LogP | 5.14010 |
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| InChIKey | TVFGCDQPUZGXMQ-UHFFFAOYSA-N |
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| SMILES | CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1F |
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2935009090 |
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Customs
| HS Code | 2935009090 |
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| Summary | 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0% |
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Synonyms
| N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide |
