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PF-543

CAT: 0013-GTR19187609-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187609-01Size:1 mg
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Description
PF-543 is a potent and selective sphingosine-competitive inhibitor of Sphingosine Kinase 1 (SphK1), exhibiting an IC50 of 2.0 nM and a Ki of 3.6 nM. This cell-permeable compound is a valuable research tool for investigating the role of SphK1 and sphingosine-1-phosphate signaling in cancer, inflammation, and fibrosis in both cellular and animal models.
CAS Number
1415562-82-1
Product Name Alternative
Lysophospholipid Receptor, PAH, necrosis, inhibit, LPL, LPLReceptor, LPL Receptor, Nrf-2, Inhibitor, Autophagy, anti-cancer, anti-inflammatory, Apoptosis, caspase-3/7, SphK, Sphingosine kinase, Sphingosine Kinase 1 Inhibitor II, sphingosine-competitive, SphK1, S1P Receptor, S1PReceptor, S1P, PF-543, PF543, PF 543, SK1
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Purity
99.02% (May vary between batches)
Solubility
H2O:<1 mg/mL;10% DMSO+90% Corn Oil:5 mg/mL (10.74 mM) ; DMSO:93 mg/mL (199.74 mM) ; Ethanol:93 mg/mL (199.74 mM)
Smiles
Cc1cc (CS (=O) (=O) c2ccccc2) cc (OCc2ccc (CN3CCC[C@@H]3CO) cc2) c1
Molecular Formula
C27H31NO4S
Molecular Weight
465.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PF-543

[(2R)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methyl]-2-pyrrolidinyl]methanol is a sulfonamide.

CAS Number1415562-82-1
PubChem CID66577038
IUPAC Name[(2R)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
Molecular FormulaC27H31NO4S
Molecular Weight465.6
XLogP4.2
Topological Polar Surface Area75.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity679
SMILES
CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1
InChIKey
NPUXORBZRBIOMQ-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of PF-543
CAS: 1415562-82-1
CID: 66577038
Formula: C27H31NO4S
MW: 465.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.6
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass465.19737964
Monoisotopic Mass465.19737964
Topological Polar Surface Area75.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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