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Opaganib HCl

CAT: 0931-T71301-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71301-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185157-59-8
Target
Others, S1P Receptor
Related Pathways
Others, GPCR/G Protein
Bioactivity
ABC294640, also known as Opaganib, is an orally available, aryladamantane compound and selective inhibitor of sphingosine kinase-2 (SK2) with potential antineoplastic activity. Upon administration, ABC294640 competitively binds to and inhibits SK2, thereby preventing the phosphorylation of the pro-apoptotic amino alcohol sphingosine to sphingosine 1-phosphate (S1P), the lipid mediator that is pro-survival and critical for immunomodulation. This may eventually lead to the induction of apoptosis and may result in an inhibition of cell proliferation in cancer cells overexpressing SK2.
Smiles
C(NCC=1C=CN=CC1)(=O)C23CC4(CC(C2)CC(C4)C3)C5=CC=C(Cl)C=C5.Cl
Molecular Formula
C23H26Cl2N2O
Molecular Weight
417.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ABC-294640 hydrochloride
CAS Number1185157-59-8
PubChem CID73438894
IUPAC Name3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide;hydrochloride
Molecular FormulaC23H26Cl2N2O
Molecular Weight417.4
Topological Polar Surface Area42
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity551
SMILES
C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC=NC=C4)C5=CC=C(C=C5)Cl.Cl
InChI
InChI=1S/C23H25ClN2O.ClH/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16;/h1-8,17-18H,9-15H2,(H,26,27);1H
InChIKey
BXGLNXNRKRUYTH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ABC-294640 hydrochloride
CAS: 1185157-59-8
CID: 73438894
Formula: C23H26Cl2N2O
MW: 417.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass416.1422188
Monoisotopic Mass416.1422188
Topological Polar Surface Area42 Ų
Heavy Atom Count28
Formal Charge0
Complexity551
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-16015-01Opaganib
C12502-100mgOpaganib (ABC294640)
TRC-O123451-50MGOpaganib-d15
HY-16015AOpaganib (hydrochloride)
MBS5813840Opaganib HCl
HY-16015R-01Opaganib (Standard)
A12614-10Opaganib (ABC294640) 10mg

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