S1PL-IN-31

S1PL-IN-31 is an inhibitor of sphingosine-1-phosphate (S1P) lyase (IC50 = 210 nM). It is also an antagonist of the Smoothened (Smo) receptor (IC50 = 440 nM). In vivo, S1PL-IN-31 (2 mg/kg per day) prevents cervical and thoracic lymphocyte infiltration and neuromuscular weakness in a rat model of experimental autoimmune encephalomyelitis (EAE) induced by the myelin oligodendrocyte glycoprotein (MOG) peptide MOG29-152. It reduces the total number of lymphocytes, as well as the levels of CD4+ T cells, CD8+ T cells, and B cells in rats. S1PL-IN-31 (100 mg/kg) increases S1P levels in the heart and lymph nodes of male and female rats and decreases heart rate in female rats when administered at doses of 3 and 10 mg/kg per day.Formal Name: 6-[(2R)-4-[7-chloro-4-(phenylmethyl)-1-phthalazinyl]-2-methyl-1-piperazinyl]-3-pyridinecarbonitrile. CAS Number: 1538574-95-6. Synonyms: Sphingosine-1-Phosphate Lyase Inhibitor 31, S1PL Inhibitor 31, S1P Lyase Inhibitor 31. Molecular Formula: C26H23ClN6. Formula Weight: 455.0. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: Acetonitrile: Soluble, DMSO: Soluble. SMILES: C[C@@H](N(C1=CC=C(C=N1)C#N)CC2)CN2C3=NN=C(C4=C3C=C(C=C4)Cl)CC5=CC=CC=C5. InChi Code: InChI=1S/C26H23ClN6/c1-18-17-32(11-12-33(18)25-10-7-20(15-28)16-29-25)26-23-14-21(27)8-9-22(23)24(30-31-26)13-19-5-3-2-4-6-19/h2-10,14,16,18H,11-13,17H2,1H3/t18-/m1/s1. InChi Key: XUZUIICAPXZZDU-GOSISDBHSA-N.