ChemSpider 2D Image | PF-431396 | C22H21F3N6O3S

PF-431396

  • Molecular FormulaC22H21F3N6O3S
  • Average mass506.501 Da
  • Monoisotopic mass506.134796 Da
  • ChemSpider ID9773388

More details:






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

717906-29-1 [RN]
Methanesulfonamide, N-[2-[[[2-[(2,3-dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]-N-methyl- [ACD/Index Name]
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfonamide
N-Methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluormethyl)-4-pyrimidinyl}amino)methyl]phenyl}methansulfonamid [German] [ACD/IUPAC Name]
N-Methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]phenyl}methanesulfonamide [ACD/IUPAC Name]
N-Méthyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluorométhyl)-4-pyrimidinyl}amino)méthyl]phényl}méthanesulfonamide [French] [ACD/IUPAC Name]
PF-431396
[717906-29-1] [RN]
1337994-12-3 [RN]
CHEMBL472212
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2107
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2107
      no pictogram Axon Medchem 2107
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2107
      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 4278
      Warning Axon Medchem 2107
    • Target Organs:

      FAK inhibitor TargetMol T2314
    • Bio Activity:

      Angiogenesis TargetMol T2314
      BET bromodomain MedChem Express HY-10460
      BET bromodomain FAK Pyk2 MedChem Express HY-10460
      Cell Cycle/DNA Damage MedChem Express HY-10460
      Cell Cycle/DNA Damage; Protein Tyrosine Kinase/RTK; MedChem Express HY-10460
      Dual FAK/PYK2 inhibitor Tocris Bioscience 4278
      Dual focal adhesion kinase (FAK) and proline-rich tyrosine kinase 2 (PYK2) inhibitor (IC50 values are 2 and 11 nM respectively). Promotes osteoblast recruitment and activity, and stimulates bone forma tion in ovariectomized rats. Tocris Bioscience 4278
      Dual focal adhesion kinase (FAK) and proline-rich tyrosine kinase 2 (PYK2) inhibitor (IC50 values are 2 and 11 nM respectively). Promotes osteoblast recruitment and activity, and stimulates bone formation in ovariectomized rats. Tocris Bioscience 4278
      Enzymes Tocris Bioscience 4278
      FAK;PYK2 TargetMol T2314
      Focal Adhesion Kinase Tocris Bioscience 4278
      Kinases Tocris Bioscience 4278
      PF-431396 is dual focal adhesion kinase (FAK) and proline-rich tyrosine kinase 2 (PYK2) inhibitor (IC50 values are 2 and 11 nM respectively), PF-431396 has a Kd value of 445 nM for BRD4.; IC50 value: 2 nM (FAK); 11 nM (PYK2); 445 nM (KD for BRD4) [1] [2]; Target: FAK; PYK2; BRD4; in vitro: PF-431396 is a potent and highly selective pyrimidine-based inhibitor of both Pyk2 and FAK, Consistent with the idea that the tyrosine phosphorylation of Pyk2 and FAK involves an initial autophosphorylation or transphosphorylation step, treating A20 cells with PF-431396 blocked anti-Ig-induced tyrosine phosphorylation of Pyk2 and FAK when the cells were stimulated in suspension when they were stimulated on ECM [3]. MedChem Express HY-10460
      PF-431396 is dual focal adhesion kinase (FAK) and proline-rich tyrosine kinase 2 (PYK2) inhibitor (IC50 values are 2 and 11 nM respectively), PF-431396 has a Kd value of 445 nM for BRD4.;IC50 value: 2 nM (FAK); 11 nM (PYK2); 445 nM (KD for BRD4) [1] [2];Target: FAK; PYK2; BRD4;In vitro: PF-431396 is a potent and highly selective pyrimidine-based inhibitor of both Pyk2 and FAK, Consistent with the idea that the tyrosine phosphorylation of Pyk2 and FAK involves an initial autophosphorylation or transphosphorylation step, treating A20 cells with PF-431396 blocked anti-Ig-induced tyrosine phosphorylation of Pyk2 and FAK when the cells were stimulated in suspension when they were stimulated on ECM [3]. Nanomolar affinities were also determined for PF-431396 (Kd = 445 ? 42 nM) and for the PIM inhibitor (Kd = 565 ? 63 nM) [2]. MedChem Express HY-10460

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 136.97
ACD/KOC (pH 5.5): 1167.14
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.29
ACD/KOC (pH 7.4): 1203.96
Polar Surface Area: 125 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 336.2±3.0 cm3

Click to predict properties on the Chemicalize site






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