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Home > Products > Agrochemicals > Agrochemical Intermediates > 1-PropanesulfonaMide, N-[3-[(5-broMo-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-
1-PropanesulfonaMide, N-[3-[(5-broMo-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]- structure, CAS 918504-27-5

1-PropanesulfonaMide, N-[3-[(5-broMo-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-

CAS Number918504-27-5

SynonymsN-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide

Molecular FormulaC17H14BrF2N3O3S

Molecular Weight458.27700

Purity

Density

Boiling Point634.2°C

Melting Point

Flash Point

Appearance

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Cat. No.: 2A-1167387 Purity:
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Quality Control of [ 918504-27-5 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number918504-27-5
Catalog No.2A-1167387
Chinese NameN-[3-[(5-溴-1H-吡咯并[2,3-B]吡啶-3-基)羰基]-2,4-二氟苯基]-1-丙磺酰胺
SynonymsN-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
Molecular FormulaC17H14BrF2N3O3S
Molecular Weight458.27700
Boiling Point634.2°C
Storage Conditionroom temperature, dry
ApplicationB-Raf IN 11 (ZINC72115182) is a selective B-RafV600E inhibitor (IC50=76 nM). Compared with B-RafWT, the selectivity of B-RafV600E is 3.1 times. B-Raf IN 11 could be used in colorectal cancer research[
HTC2935009090
PubChem ID17435606
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1F
InChIInChI=1S/C17H14BrF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
InChI KeyTVFGCDQPUZGXMQ-UHFFFAOYSA-N
Use ofProperties Name N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide Synonym More Synonyms B-Raf IN 11 Biological Activity Related Catalog Research Areas >> Cancer Signaling Pathways >> MAPK/ERK Pathway >> Raf B-RafV600E:76 nM (IC50) BRAFWT:238 nM (IC50) 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. Chemical & Physical Properties Molecular Formula C17H14BrF2N3O3S Exact Mass 456.99100 PSA 100.30000 LogP 5.14010 InChIKey TVFGCDQPUZGXMQ-UHFFFAOYSA-N Safety Information Hazard Codes Xi HS Code 2935009090
Tax Rebate9.0%
SupervisionNone MFN tariff: 6.5% Ordinary tariff: 35.0%
Transport InfoProduct name: 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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