ChemSpider 2D Image | PFI-1 | C16H17N3O4S

PFI-1

  • Molecular FormulaC16H17N3O4S
  • Average mass347.389 Da
  • Monoisotopic mass347.093964 Da
  • ChemSpider ID28467525

More details:






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

1403764-72-6 [RN]
2-Methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydro-6-chinazolinyl)benzolsulfonamid [German] [ACD/IUPAC Name]
2-Methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydro-6-quinazolinyl)benzenesulfonamide [ACD/IUPAC Name]
2-Méthoxy-N-(3-méthyl-2-oxo-1,2,3,4-tétrahydro-6-quinazolinyl)benzènesulfonamide [French] [ACD/IUPAC Name]
2-METHOXY-N-(3-METHYL-2-OXO-1,2,3,4-TETRAHYDRO-QUINAZOLIN-6-YL)-BEZENESULFONAMIDE
Benzenesulfonamide, 2-methoxy-N-(1,2,3,4-tetrahydro-3-methyl-2-oxo-6-quinazolinyl)- [ACD/Index Name]
MFCD22580416
PF-06405761
PFI-1
[1403764-72-6]
More...

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

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1887
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1887
      no pictogram Axon Medchem 1887
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1887
      This probe is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the PFI 1 probe summary on the SGC website. Tocris Bioscience 4445
      Warning Axon Medchem 1887
    • Bio Activity:

      BET bromodomain MedChem Express HY-16586
      BET bromodomain inhibitor Tocris Bioscience 4445
      Bromodomains Tocris Bioscience 4445
      Cell Biology Tocris Bioscience 4445
      Cell Cycle/DNA Damage MedChem Express HY-16586
      Cell Cycle/DNA Damage; MedChem Express HY-16586
      Epigenetics Tocris Bioscience 4445
      PFI-1 can efficiently block the interaction of BET BRDs with H3 and H4 acetylated histone tails. MedChem Express http://www.medchemexpress.com/GW9662.html, HY-16586
      Potent BET bromodomain inhibitor; exhibits inhibitory activity at bromodomain-containing protein (BRD) 2 and BRD4 (IC50 values are 98 and 220 nM respectively). Induces apoptosis and G1 cell cycle arre st in BET inhibitor-sensitive cell lines (MV4;11). Also downregulates Aurora B expression in MV4;11 cells. Cell permeable. Tocris Bioscience 4445
      Potent BET bromodomain inhibitor; exhibits inhibitory activity at bromodomain-containing protein (BRD) 2 and BRD4 (IC50 values are 98 and 220 nM respectively). Induces apoptosis and G1 cell cycle arrest in BET inhibitor-sensitive cell lines (MV4;11). Also downregulates Aurora B expression in MV4;11 cells. Cell permeable. Tocris Bioscience 4445

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 89.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.74
ACD/KOC (pH 5.5): 136.37
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.32
ACD/KOC (pH 7.4): 127.77
Polar Surface Area: 96 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 253.0±3.0 cm3

Click to predict properties on the Chemicalize site






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