ChemSpider 2D Image | Danirixin | C19H21ClFN3O4S

Danirixin

  • Molecular FormulaC19H21ClFN3O4S
  • Average mass441.904 Da
  • Monoisotopic mass441.092529 Da
  • ChemSpider ID30790742

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{4-Chlor-2-hydroxy-3-[(3S)-3-piperidinylsulfonyl]phenyl}-3-(3-fluor-2-methylphenyl)harnstoff [German] [ACD/IUPAC Name]
1-{4-Chloro-2-hydroxy-3-[(3S)-3-piperidinylsulfonyl]phenyl}-3-(3-fluoro-2-methylphenyl)urea [ACD/IUPAC Name]
1-{4-Chloro-2-hydroxy-3-[(3S)-3-pipéridinylsulfonyl]phényl}-3-(3-fluoro-2-méthylphényl)urée [French] [ACD/IUPAC Name]
3-{4-chloro-2-hydroxy-3-[(3S)-piperidine-3-sulfonyl]phenyl}-1-(3-fluoro-2-methylphenyl)urea
954126-98-8 [RN]
Danirixin [INN] [USAN]
Danirixina [Spanish] [INN]
Danirixine [French] [INN]
Danirixinum [Latin] [INN]
R318PGH5VP
More...

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

9559 [DBID]
GSK1325756B [DBID]
  • Miscellaneous

    • Bio Activity:

      CXCR MedChem Express HY-19768
      Danirixin is a small molecule, non-peptide, high affinity (IC50 for CXCL8 binding = 12.5 nM), selective, and reversible CXCR2 antagonist. ;IC50 value: 12.5 nM;Target: CXCL8Danirixin is a small molecule CXCR2 antagonist being evaluated as a potential anti-inflammatory medicine. Danirixin has demonstrated potent antagonism of CXCR2 activity in vitro and anti-inflammatory effects in various preclinical models. Its pharmacologic activity and duration of action following oral administration support its potential use as an oral, anti-inflammatory agent. [1] Danirixin (GSK1325756) is a small, high-affinity, selective and reversible CXCR2 antagonist in development for treatment of chronic obstructive pulmonary disease. Danirixin (GSK1325756) is a small, non-peptide, high-affinity (IC50 for CXCL8 binding 12.5 nM), selective and reversible CXCR2 antagonist. Danirixin has demonstrated potent antagonism of CXCR2 activity, both in vitro and in vivo in preclinical studies. Its oral potency and MedChem Express HY-19768
      GPCR/G protein; Immunology/Inflammation; MedChem Express HY-19768

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

Density: 1.5±0.1 g/cm3
Boiling Point: 533.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 276.2±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 108.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 7.99
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 8.53
Polar Surface Area: 116 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 301.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement