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PF-543

CAT: 0607-A3717-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A3717-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SphK1 inhibitor,cell-permeate,potent and selective
CAS Number
1415562-82-1
Product Name Alternative
[(2R)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
Sequence
PF543; PF 543
Field of Research
GPCR G protein S1P receptor
Purity
0.9958
Form
A yellow oil
Solubility
≥23.3 mg/mL in DMSO; insoluble in H2O; ≥51 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCCC3CO)CS(=O)(=O)C4=CC=CC=C4
Molecular Formula
C27H31NO4S
Molecular Weight
465.6
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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MBS578658PF-543
HY-15425A-01PF-543 (Citrate)
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A13039-1PF-543 1mg
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A13039-100PF-543 100mg

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