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PF-543 hydrochloride
- Parent CAS: 1415562-82-1
- Optical Purity: Optically pure
- Soluble in water, DMSO and EtOH
- MF: C27H31NO4S·HCl
- MW: 502.07
Description
Cell-permeant reversible inhibitor of SphK1 (IC50 value 2.0 nM; Ki value 3.6 nM). PF-543 hydrochloride is sphingosine-competitive and is more than 100-fold selective for SphK1 over the SphK2 isoform. The citrate salt form PF-543 citrate (Axon 2350) is also available.
More Information
| Parent CAS No. | 1415562-82-1 |
|---|---|
| Chemical Name | ((R)-1-((4-((3-((Phenylsulfonyl)methyl)-5-tolyloxy)methyl)phenyl)methyl)-2-pyrrolidinyl)methanol hydrochloride |
| SMILES | C1=C(C)C=C(OCC2=CC=C(CN3CCC[C@@H]3CO)C=C2)C=C1CS(C1=CC=CC=C1)(=O)=O.Cl |&1:16,r| |
| MFCD | N.A. |
| InChi | InChI=1S/C27H31NO4S.ClH/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;1H/t25-;/m1./s1 |
| InChiKey | WNKWAZFYPZMDGJ-VQIWEWKSSA-N |
| CID | 121230770 |
| Short Description | SphK1 inhibitor |
References
- D. Vogt et al. Design, synthesis and evaluation of 2-aminothiazole derivatives as sphingosine kinase inhibitors. Bioorg. Med. Chem. 2014, 22, 5354-5367.
- M.E. Schnute et al. Modulation of cellular S1P levels with a novel, potent and specific inhibitor of sphingosine kinase-1. Biochem. J. 2012, 444, 79-88.
- J. Wang et al. Crystal Structure of Sphingosine Kinase 1 with PF-543. ACS Med Chem Lett. 2014, 5, 1329-1333.
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