An S1P lyase inhibitor
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S1PL-IN-31

Item No. 39826

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
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
A solid
Solubility(Learn about Variance in Solubility)
Acetonitrile: SolubleDMSO: 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
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    1 mg

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    Product Description

    S1PL-IN-31 is an inhibitor of sphingosine-1-phosphate (S1P) lyase (IC50 = 210 nM).1 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.2

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Weiler, S., Braendlin, N., Beerli, C., et al. Orally active 7-substituted (4-benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as active-site inhibitors of sphingosine 1-phosphate lyase for the treatment of multiple sclerosis. J. Med. Chem. 57(12), 5074-5084 (2014).

    2. Harris, C.M., Mittelstadt, S., Banfor, P., et al. Sphingosine-1-phosphate (S1P) lyase inhibition causes increased cardiac S1P levels and bradycardia in rats. J. Pharmacol. Exp. Ther. 359(1), 151-158 (2016).