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SKU | Size | Availability | Price | 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 |
Synonyms | compound 10 |
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Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | INHIBITOR |
Mechanism of action | Inhibitor of sphingosine kinase 1;Inhibitor of sphingosine kinase 2 |
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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IUPAC Name | (2S)-2-[3-[3-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide |
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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 |
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] |