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(R)-(1-(4-((3-(Benzyloxy)phenoxy)methyl)benzyl)pyrrolidin-2-yl)methanol , CAS No.R609244, Inhibitor of sphingosine kinase 1;Inhibitor of sphingosine kinase 2

Item Number
R609244
Grouped product items
SKUSizeAvailabilityPrice Qty
R609244-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$570.90
R609244-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90

Basic Description

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 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SPHK1 Tchem Sphingosine kinase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SPHK2 Tchem Sphingosine kinase 2 (1579 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SPHK1 Tchem Sphingosine kinase 1 (1990 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences
Sphingosine kinase 2 inhibitorINHIBITORALA3023Sphingosine kinase 2SINGLE PROTEINHomo sapiens

PubMed: [1] , [2] , [3]


Names and Identifiers

IUPAC Name (R)-(1-(4-((3-(Benzyloxy)phenoxy)methyl)benzyl)pyrrolidin-2-yl)methanol
INCHI InChI=1S/C26H29NO3/c28-18-24-8-5-15-27(24)17-21-11-13-23(14-12-21)20-30-26-10-4-9-25(16-26)29-19-22-6-2-1-3-7-22/h1-4,6-7,9-14,16,24,28H,5,8,15,17-20H2/t24-/m1/s1
InChi Key SPXSEZMVRJLHQG-XMMPIXPASA-N
Canonical SMILES OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)OCc1ccccc1
Isomeric SMILES C1C[C@@H](N(C1)CC2=CC=C(C=C2)COC3=CC=CC(=C3)OCC4=CC=CC=C4)CO
PubChem CID 154699447

Certificates

C of A & Other Certificates

Related Documents

References

1. Adams DR, Tawati S, Berretta G, Rivas PL, Baiget J, Jiang Z, Alsfouk A, Mackay SP, Pyne NJ, Pyne S.  (2019)  Topographical Mapping of Isoform-Selectivity Determinants for J-Channel-Binding Inhibitors of Sphingosine Kinases 1 and 2..  J Med Chem,  62  (7): (3658-3676).  [PMID:30889352] [10.1021/op500134e]

Solution Calculators