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SPM-354 , CAS No.S613678, Antagonist of S1P 1 receptor;Antagonist of S1P 3 receptor
Basic Description
| Grade | Moligand™ |
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| Action Type | ANTAGONIST |
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| Mechanism of action | Antagonist of S1P 1 receptor;Antagonist of S1P 3 receptor |
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Names and Identifiers
| IUPAC Name | [(2S)-2-amino-2-[2-[2-chloro-4-[2-hydroxy-5-(trifluoromethyl)phenyl]sulfanylphenyl]ethyl]pentyl] dihydrogen phosphate |
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| INCHI | InChI=1S/C20H24ClF3NO5PS/c1-2-8-19(25,12-30-31(27,28)29)9-7-13-3-5-15(11-16(13)21)32-18-10-14(20(22,23)24)4-6-17(18)26/h3-6,10-11,26H,2,7-9,12,25H2,1H3,(H2,27,28,29)/t19-/m0/s1 |
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| InChi Key | WDHXDLFPOPVGGO-IBGZPJMESA-N |
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| Canonical SMILES | CCC[C@@](COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cc(ccc1O)C(F)(F)F)N |
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| Isomeric SMILES | CCC[C@](CCC1=C(C=C(C=C1)SC2=C(C=CC(=C2)C(F)(F)F)O)Cl)(COP(=O)(O)O)N |
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| PubChem CID | 49869062 |
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References
| 1. Sanna MG, Vincent KP, Repetto E, Nguyen N, Brown SJ, Abgaryan L, Riley SW, Leaf NB, Cahalan SM, Kiosses WB et al.. (2016) Bitopic Sphingosine 1-Phosphate Receptor 3 (S1P3) Antagonist Rescue from Complete Heart Block: Pharmacological and Genetic Evidence for Direct S1P3 Regulation of Mouse Cardiac Conduction.. Mol Pharmacol, 89 (1): (176-86). [PMID:26494861] |
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