ChemSpider 2D Image | PLX8394 | C25H21F3N6O3S

PLX8394

  • Molecular FormulaC25H21F3N6O3S
  • Average mass542.533 Da
  • Monoisotopic mass542.134766 Da
  • ChemSpider ID38772338

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-N-(3-{[5-(2-Cyclopropyl-5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-3-fluoro-1-pyrrolidinesulfonamide [ACD/IUPAC Name]
(3R)-N-(3-{[5-(2-Cyclopropyl-5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophényl)-3-fluoro-1-pyrrolidinesulfonamide [French] [ACD/IUPAC Name]
(3R)-N-(3-{[5-(2-Cyclopropyl-5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorphenyl)-3-fluor-1-pyrrolidinsulfonamid [German] [ACD/IUPAC Name]
(3R)-N-{3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}-3-fluoropyrrolidine-1-sulfonamide
1393466-87-9 [RN]
1-Pyrrolidinesulfonamide, N-[3-[[5-(2-cyclopropyl-5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-3-fluoro-, (3R)- [ACD/Index Name]
J2L7Z273SG
PLX8394
(3R)-N-[3-[[5-(2-cyclopropyl-5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-3-fluoro-1-pyrrolidinesulfonamide
(R)-N-(3-(5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)-3-fluoropyrrolidine-1-sulfonamide
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      MAPK MedChem Express HY-18972
      MAPK; MedChem Express HY-18972
      PLX8394 is a potent and selective inhibitor of B-RafV600E (IC50~5 nM).; IC50 value: ~5 nM; Target: B-RafV600E; in vitro: PLX8394 potently inhibits phosphorylation of ERK1/2 in PRT MedChem Express HY-18972
      PLX8394 is a potent and selective inhibitor of B-RafV600E (IC50~5 nM).;IC50 value: ~5 nM;Target: B-RafV600E;In vitro: PLX8394 potently inhibits phosphorylation of ERK1/2 in PRT #3 and PRT #4 cells in addition to parental cells. PLX8394 potently inhibits ERK1/2-driven GAL4-Elk1 reporter activity in PRT cells as well as parental cells. PLX8394 effectively reducs cyclin D3 and cyclin D1, phosphorylation of retinoblastoma protein, and expression of cyclin A2 in parental cells. PLX8394 reduces levels of these cell cycle markers in PRT #3 and PRT #4 cells. Consistent with these effects, PLX8394 inhibits EdU incorporation into PRT #3 and PRT #4 cells in S phase entry assays. PLX8394 inhibits ERK1/2 phosphorylation and the growth of vemurafenib-resistant cells harboring either a BRAF V600K/L505H double mutation or an transposon-induced, N-terminal truncated form of BRAF. MedChem Express HY-18972
      Raf MedChem Express HY-18972

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

Density: 1.6±0.1 g/cm3
Boiling Point: 786.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 429.6±35.7 °C
Index of Refraction: 1.703
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.49
ACD/KOC (pH 5.5): 154.96
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.05
Polar Surface Area: 129 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 83.6±5.0 dyne/cm
Molar Volume: 337.2±5.0 cm3

Click to predict properties on the Chemicalize site


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