ChemSpider 2D Image | PD 318088 | C16H13BrF3IN2O4

PD 318088

  • Molecular FormulaC16H13BrF3IN2O4
  • Average mass561.089 Da
  • Monoisotopic mass559.905518 Da
  • ChemSpider ID8406821

More details:

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

391210-00-7 [RN]
5-Brom-N-(2,3-dihydroxypropoxy)-3,4-difluor-2-[(2-fluor-4-iodphenyl)amino]benzamid [German] [ACD/IUPAC Name]
5-Bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide [ACD/IUPAC Name]
5-Bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[(2-fluoro-4-iodophényl)amino]benzamide [French] [ACD/IUPAC Name]
Benzamide, 5-bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]- [ACD/Index Name]
PD 318088
[391210-00-7] [RN]
5-bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzamide
5-bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
5-bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)benzamide
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      MAPK MedChem Express HY-12062
      MAPK ; MedChem Express HY-12062
      MEK MedChem Express HY-12062
      PD318088 is a non-ATP competitive allosteric MEK1/2 inhibitor, binds simultaneously with ATP in a region of the MEK1 active site that is adjacent to the ATP-binding site.; IC50 value:; Target: MEK1/2; in vitro: PD318088 is a small-molecule inhibitor of MEK1/2, which is an analog of PD184352, suggesting it might have substantial anti-proliferative activity against cancer cells, although no functional study of PD318088 is currently available. MedChem Express HY-12062
      PD318088 is a non-ATP competitive allosteric MEK1/2 inhibitor, binds simultaneously with ATP in a region of the MEK1 active site that is adjacent to the ATP-binding site.;IC50 value:;Target: MEK1/2;In vitro: PD318088 is a small-molecule inhibitor of MEK1/2, which is an analog of PD184352, suggesting it might have substantial anti-proliferative activity against cancer cells, although no functional study of PD318088 is currently available. PD318088 binds simultaneously with ATP in a region of the MEK1 active site that is adjacent to the ATP-binding site. Formation of the ternary complexes with PD318088 and MgATP results in moderate increases (to 140 nM) for the Kd monomer-dimer for both MEK1 and MEK2. The binding of PD318088 and MgATP to MEK1 also abolishes the formation of tetramers and higher-order aggregates. PD318088 and MgATP together increase the dimerization disassociation constant for MEK1 and MEK2 slightly from ~75 nM to ~140 nM, suggesting that the mechanism of inhibition f MedChem Express HY-12062

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 103.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2619.82
ACD/KOC (pH 5.5): 9736.31
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2619.82
ACD/KOC (pH 7.4): 9736.30
Polar Surface Area: 91 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 281.5±3.0 cm3

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