ChemSpider 2D Image | PF-543 | C27H31NO4S

PF-543

  • Molecular FormulaC27H31NO4S
  • Average mass465.604 Da
  • Monoisotopic mass465.197388 Da
  • ChemSpider ID28637769

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2R)-1-[(4-{3-[(benzenesulfonyl)methyl]-5-methylphenoxymethyl}phenyl)methyl]pyrrolidin-2-yl]methanol
[(2R)-1-{[4-({3-[(Benzenesulfonyl)methyl]-5-methylphenoxy}methyl)phenyl]methyl}pyrrolidin-2-yl]methanol
{(2R)-1-[4-({3-Methyl-5-[(phenylsulfonyl)methyl]phenoxy}methyl)benzyl]-2-pyrrolidinyl}methanol [German] [ACD/IUPAC Name]
{(2R)-1-[4-({3-Methyl-5-[(phenylsulfonyl)methyl]phenoxy}methyl)benzyl]-2-pyrrolidinyl}methanol [ACD/IUPAC Name]
{(2R)-1-[4-({3-Méthyl-5-[(phénylsulfonyl)méthyl]phénoxy}méthyl)benzyl]-2-pyrrolidinyl}méthanol [French] [ACD/IUPAC Name]
1415562-82-1 [RN]
2-Pyrrolidinemethanol, 1-[[4-[[3-methyl-5-[(phenylsulfonyl)methyl]phenoxy]methyl]phenyl]methyl]-, (2R)- [ACD/Index Name]
PF-543
(R)-(1-(4-((3-methyl-5-((phenylsulfonyl)methyl)phenoxy)methyl)benzyl)pyrrolidin-2-yl)methanol
[(2R)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methyl]-2-pyrrolidinyl]methanol
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Others MedChem Express HY-15425
      PF-543 is a novel cell-permeant inhibitor of SphK1 with a Ki of 3.6 nM, PF-543 is sphingosine-competitive and is more than 100-fold selective for SphK1 over the SphK2 isoform. MedChem Express http://www.medchemexpress.com/Vortioxetine.html, HY-15425
      PF-543 is a novel cell-permeant inhibitor of SphK1 with a Ki of 3.6 nM, PF-543 is sphingosine-competitive and is more than 100-fold selective for SphK1 over the SphK2 isoform. ;IC50 value: 3.6 nM (Ki);Target: SphK1PF-543 is the most potent inhibitor of SphK1 described to date and it will be useful for dissecting specific roles of SphK1-driven S1P signalling. MedChem Express HY-15425
      SPHK MedChem Express HY-15425

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 356.6±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.89
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 5.85
ACD/KOC (pH 7.4): 43.53
Polar Surface Area: 75 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 380.1±3.0 cm3

Click to predict properties on the Chemicalize site


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