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PF-543

CAT: 1410-M18007-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M18007-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PF-543, a novel sphingosine-competitive inhibitor of SphK1, inhibits SphK1 with IC50 and Ki of 2.0 nM and 3.6 nM.
CAS Number
1415562-82-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
465.6
Molecular Formula
C27H31NO4S
Notes
Research use only, not for human use.
Receptor
SphK1| SphK1

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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Alternative Products

CatalogName
A3717-5.1PF-543
A3718-50PF-543 Citrate
HY-15425A-01PF-543 (Citrate)
A13039-1PF-543 1mg
bs-83079C-01PF-543 HCl
C12504-01PF-543 hydrochloride

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