ChemSpider 2D Image | PLX4720 | C17H14ClF2N3O3S

PLX4720

  • Molecular FormulaC17H14ClF2N3O3S
  • Average mass413.826 Da
  • Monoisotopic mass413.041260 Da
  • ChemSpider ID22376238

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Propanesulfonamide, N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]- [ACD/Index Name]
918505-84-7 [RN]
EQY31RO8HA
N-(3-{5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
N-[3-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide
N-{3-[(5-Chlor-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorphenyl}-1-propansulfonamid [German] [ACD/IUPAC Name]
N-{3-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-1-propanesulfonamide [ACD/IUPAC Name]
N-{3-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophényl}-1-propanesulfonamide [French] [ACD/IUPAC Name]
PLX4720
PLX-4720
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

324 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Raf inhibitor TargetMol T2473

    • Chemical Class:

      A pyrrolopyridine that is vemurafenib in which the <ital>p</ital>-chlorophenyl group has been replaced by chlorine. It is a potent and selective inhibitor of the Raf kinase B-Raf(V600E). ChEBI CHEBI:90295
      A pyrrolopyridine that is vemurafenib in which the p-chlorophenyl group has been replaced by chlorine. It is a potent and selective inhibitor of the Raf kinase B-Raf(V600E). ChEBI CHEBI:90295

    • Bio Activity:

      B-Raf?? TargetMol T2473
      MAPK MedChem Express HY-51424
      MAPK ; MedChem Express HY-51424
      MAPK Signaling TargetMol T2473
      PLX 4720 is a potent and selective inhibitor of B-RafV600E(IC50=13 nM) and c-Raf-1Y340D/Y341D(IC50=6.7 nM); 10-fold selectivity for B-RafV600E than wild-type B-Raf.; IC50 value: 13/6.7 nM( B-RafV600E/c-Raf-1Y340D/Y341D) [1]; Target: B-RafV600E; c-Raf-1Y340D/Y341D; in vitro: PLX-4720 displays >10 times selectivity against wild type B-Raf, and >100 times selectivity over other kinases such as Frk, Src, Fak, FGFR, and Aurora A with IC50 of 1.3-3.4 ?M. MedChem Express HY-51424
      Raf MedChem Express HY-51424

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 621.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.6±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 96.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 68.66
ACD/KOC (pH 5.5): 686.29
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 6.13
ACD/KOC (pH 7.4): 61.23
Polar Surface Area: 100 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 267.1±3.0 cm3

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