ChemSpider 2D Image | GSK2801 | C20H21NO4S

GSK2801

  • Molecular FormulaC20H21NO4S
  • Average mass371.450 Da
  • Monoisotopic mass371.119141 Da
  • ChemSpider ID30687762

More details:

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

1-(7-(2-methylsulfonyl-phenyl)-4-propoxy-1-aza-bicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-ethanone
1-[1-(2-METHANESULFONYLPHENYL)-7-PROPOXYINDOLIZIN-3-YL]ETHAN-1-ONE
1-[1-(2-METHANESULFONYLPHENYL)-7-PROPOXYINDOLIZIN-3-YL]ETHANONE
1-{1-[2-(Methylsulfonyl)phenyl]-7-propoxy-3-indolizinyl}ethanon [German] [ACD/IUPAC Name]
1-{1-[2-(Methylsulfonyl)phenyl]-7-propoxy-3-indolizinyl}ethanone [ACD/IUPAC Name]
1-{1-[2-(Méthylsulfonyl)phényl]-7-propoxy-3-indolizinyl}éthanone [French] [ACD/IUPAC Name]
1619994-68-1 [RN]
Ethanone, 1-[1-[2-(methylsulfonyl)phenyl]-7-propoxy-3-indolizinyl]- [ACD/Index Name]
GSK2801
MFCD26142953
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      This probe is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the GSK 2801 probe summary on the SGC website. Tocris Bioscience 5635

    • Target Organs:

      Epigenetic Reader Domain inhibitor TargetMol T2436

    • Bio Activity:

      BAZ2A/2B TargetMol T2436
      BET bromodomain MedChem Express HY-15658
      Bromodomains Tocris Bioscience 5635
      Cell Biology Tocris Bioscience 5635
      Cell Cycle/DNA Damage MedChem Express HY-15658
      Cell Cycle/DNA Damage; MedChem Express HY-15658
      Chromatin/Epigenetic TargetMol T2436
      Epigenetics Tocris Bioscience 5635
      GSK2801 is a potent, selective and cell active acetyl-lysine competitive inhibitor of BAZ2A(Kd=136 nM) and BAZ2B(Kd=257 nM) bromodomains. MedChem Express
      GSK2801 is a potent, selective and cell active acetyl-lysine competitive inhibitor of BAZ2A(Kd=136 nM) and BAZ2B(Kd=257 nM) bromodomains.; IC50 value: 136 nM/257 nM(Kd, BAZ2A/BAZ2B) [1]; Target: BAZ2A/2B inhibitor; GSK2801 binds to BAZ2 bromodomains with dissociation constants (KD) of 136 and 257 nM for BAZ2B and BAZ2A, respectively. MedChem Express HY-15658
      GSK2801 is a potent, selective and cell active acetyl-lysine competitive inhibitor of BAZ2A(Kd=136 nM) and BAZ2B(Kd=257 nM) bromodomains.;IC50 value: 136 nM/257 nM(Kd, BAZ2A/BAZ2B) [1];Target: BAZ2A/2B inhibitorGSK2801 binds to BAZ2 bromodomains with dissociation constants (KD) of 136 and 257 nM for BAZ2B and BAZ2A, respectively. Crystal structures demonstrated a canonical acetyl-lysine competitive binding mode. Cellular activity was demonstrated using fluorescent recovery after photobleaching (FRAP) monitoring displacement of GFP-BAZ2A from acetylated chromatin. A pharmacokinetic study in mice showed that GSK2801 had reasonable in vivo exposure after oral dosing, with modest clearance and reasonable plasma stability. Thus, GSK2801 represents a versatile tool compound for cellular and in vivo studies to understand the role of BAZ2 bromodomains in chromatin biology. MedChem Express HY-15658
      Selective BAZ2A and BAZ2B inhibitor Tocris Bioscience 5635
      Selective BAZ2A and BAZ2B inhibitor (IC50 values are 0.40 and 0.43 ?M, respectively). Selective for BAZ2A/B over TAF1L and BRD9. Cell permeable and orally available. Tocris Bioscience 5635
      Selective BAZ2A and BAZ2B inhibitor (IC50 values are 0.40 and 0.43 muM, respectively). Selective for BAZ2A/B over TAF1L and BRD9. Cell permeable and orally available. Tocris Bioscience 5635

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.596
Molar Refractivity: 102.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.52
ACD/KOC (pH 5.5): 916.65
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.52
ACD/KOC (pH 7.4): 916.65
Polar Surface Area: 73 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 301.2±7.0 cm3

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