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Safingol hydrochloride

CAT: 0931-T83978-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T83978-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
139755-79-6
Target
PKC, PI3K
Related Pathways
Chromatin/Epigenetic, Cytoskeletal Signaling, PI3K/Akt/mTOR signaling
Purity
0.9971
Bioactivity
Safingol hydrochloride (L-threo-dihydrosphingosine hydrochloride) is a specific inhibitor of protein kinase C. It induces autophagy in solid tumor cells and cancer cell death by inhibiting the PKC and PI3-kinase pathways.BIIB 722 Mesylate is a selective sodium-hydrogen exchange inhibitor. Safingol hydrochloride inhibits PKC and PI3k.
Smiles
C(CCCCCCCCCCCCCC)[C@@H]([C@H](CO)N)O.Cl
Molecular Formula
C18H40ClNO2
Molecular Weight
337.969
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Safingol Hydrochloride

Safingol Hydrochloride is the hydrochloride salt of a saturated derivative of sphingosine. As an inhibitor of protein kinase C (PKC), safingol competitively binds to the regulatory phorbol-binding domain of PKC, a kinase involved in tumorigenesis. This agent has been shown to act synergistically with other chemotherapeutic agents and may potentiate chemotherapy drug-induced apoptosis in vitro and in vivo.

CAS Number139755-79-6
PubChem CID3058738
IUPAC Name(2S,3S)-2-aminooctadecane-1,3-diol;hydrochloride
Molecular FormulaC18H40ClNO2
Molecular Weight338.0
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count22
Formal Charge0
Complexity200
SMILES
CCCCCCCCCCCCCCC[C@@H]([C@H](CO)N)O.Cl
InChI
InChI=1S/C18H39NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20;/h17-18,20-21H,2-16,19H2,1H3;1H/t17-,18-;/m0./s1
InChIKey
BEHHCQFBLOARIX-APTPAJQOSA-N
Chemical Structure
2D Structure
2D structure of Safingol Hydrochloride
CAS: 139755-79-6
CID: 3058738
Formula: C18H40ClNO2
MW: 338.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass337.2747572
Monoisotopic Mass337.2747572
Topological Polar Surface Area66.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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