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SLM6071469 , CAS No.S613624, Inhibitor of sphingosine kinase 1;Inhibitor of sphingosine kinase 2

Item Number
S613624
Grouped product items
SKUSizeAvailabilityPrice Qty
S613624-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$570.90
S613624-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90

Basic Description

Synonymscompound 10
Specifications & PurityMoligand™
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of sphingosine kinase 1;Inhibitor of sphingosine kinase 2

Associated Targets(Human)

SPHK2 Tchem Sphingosine kinase 2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SPHK1 Tchem Sphingosine kinase 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

Names and Identifiers

IUPAC Name (2S)-2-[3-[3-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
INCHI InChI=1S/C22H19F6N5O2/c23-21(24,25)14-6-3-12(4-7-14)11-34-17-8-5-13(10-15(17)22(26,27)28)18-31-19(35-32-18)16-2-1-9-33(16)20(29)30/h3-8,10,16H,1-2,9,11H2,(H3,29,30)/t16-/m0/s1
InChi Key QOYVZPSXPWIXAV-INIZCTEOSA-N
Canonical SMILES NC(=N)N1CCC[C@H]1c1onc(n1)c1ccc(c(c1)C(F)(F)F)OCc1ccc(cc1)C(F)(F)F
Isomeric SMILES C1C[C@H](N(C1)C(=N)N)C2=NC(=NO2)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(F)(F)F)C(F)(F)F
PubChem CID 131981409

Certificates

C of A & Other Certificates

Related Documents

References

1. Sibley CD, Morris EA, Kharel Y, Brown AM, Huang T, Bevan DR, Lynch KR, Santos WL.  (2020)  Discovery of a Small Side Cavity in Sphingosine Kinase 2 that Enhances Inhibitor Potency and Selectivity..  J Med Chem,  63  (3): (1178-1198).  [PMID:31895563] [10.1021/op500134e]

Solution Calculators