ChemSpider 2D Image | pf-9184 | C21H14Cl2N2O4S

pf-9184

  • Molecular FormulaC21H14Cl2N2O4S
  • Average mass461.318 Da
  • Monoisotopic mass460.005127 Da
  • ChemSpider ID24665876

More details:

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

1,1-Dioxyde de N-(3',4'-dichloro-4-biphénylyl)-4-hydroxy-2H-1,2-benzothiazine-3-carboxamide [French] [ACD/IUPAC Name]
1221971-47-6 [RN]
2H-1,2-Benzothiazine-3-carboxamide, N-(3',4'-dichloro[1,1'-biphenyl]-4-yl)-4-hydroxy-, 1,1-dioxide [ACD/Index Name]
N-(3',4'-Dichlor-4-biphenylyl)-4-hydroxy-2H-1,2-benzothiazin-3-carboxamid-1,1-dioxid [German] [ACD/IUPAC Name]
N-(3',4'-Dichloro-4-biphenylyl)-4-hydroxy-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide [ACD/IUPAC Name]
pf-9184
[1221971-47-6] [RN]
N-​(3',​4'-​dichloro[1,​1'-​​biphenyl]​-​4-​​yl)​-​4-​​hydroxy-​2H-​1,​2-​​benzothiazine-​​3-​carboxamide 1,​1-​​dioxide
N-(3',4'-Dichloro[1,1'-biphenyl]-4-yl)-4-hydroxy-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
N-?(3',?4'-?dichloro[1,?1'-??biphenyl]?-?4-??yl)?-?4-??hydroxy-?2H-?1,?2-??benzothiazine-??3-?carboxamide 1,?1-??dioxide
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 5917

    • Bio Activity:

      Enzymes Tocris Bioscience 5917
      Isomerases Tocris Bioscience 5917
      Other Isomerases Tocris Bioscience 5917
      Potent microsomal prostaglandin E synthase 1 (mPGES-1) inhibitor Tocris Bioscience 5917
      Potent microsomal prostaglandin E synthase 1 (mPGES-1) inhibitor (IC50 values are 16.5 and 1080 nM for human and rat mPGES-1, respectively). Exhibits >6500-fold selectivity for mPGES-1 over COX-1 and COX-2. Inhibits IL-1?-induced PGE2 synthesis in vitro. Tocris Bioscience 5917
      Potent microsomal prostaglandin E synthase 1 (mPGES-1) inhibitor (IC50 values are 16.5 and 1080 nM for human and rat mPGES-1, respectively). Exhibits >6500-fold selectivity for mPGES-1 over COX1 and COX2. Inhibits IL-1?-induced PGE2 synthesis in vitro. Tocris Bioscience 5917
      Potent microsomal prostaglandin E synthase 1 (mPGES-1) inhibitor (IC50 values are 16.5 and 1080 nM for human and rat mPGES-1, respectively). Exhibits >6500-fold selectivity for mPGES-1 over COX-1 and COX-2. Inhibits IL-1beta-induced PGE2 synthesis in vitro. Tocris Bioscience 5917

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.714
Molar Refractivity: 114.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 58.25
ACD/KOC (pH 5.5): 270.72
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.52
Polar Surface Area: 104 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 71.3±3.0 dyne/cm
Molar Volume: 292.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement