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Spisulosine-d3

CAT: 0804-HY-13626SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13626SSize:1 mg
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Description
Spisulosine-d3 (ES-285-d3) is deuterium labeled Spisulosine. Spisulosine is an antiproliferative (antitumoral) compound of marine origin. Spisulosine inhibits the growth of the prostate PC-3 and LNCaP cells through intracellular ceramide accumulation and PKCζ activation. Spisulosine induces apoptosis in PC-3 and LNCaP cells[1].
CAS Number
1246298-31-6
Product Name Alternative
ES-285-d3
UNSPSC
12352211
Target
Apoptosis; Isotope-Labeled Compounds; PKC
Type
Isotope-Labeled Compounds
Related Pathways
Apoptosis; Epigenetics; Others; TGF-beta/Smad
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Purity
99.0
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])[C@H](N)[C@H](O)CCCCCCCCCCCCCCC
Molecular Formula
C18H36D3NO
Molecular Weight
288.53
References & Citations
[1]Ana M Sánchez, et al. Spisulosine (ES-285) induces prostate tumor PC-3 and LNCaP cell death by de novo synthesis of ceramide and PKCzeta activation. Eur J Pharmacol. 2008 Apr 28;584 (2-3) :237-45. |[2]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-223.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1-Deoxysphinganine-d3
CAS Number1246298-31-6
PubChem CID131708702
IUPAC Name(2S,3R)-2-amino-1,1,1-trideuteriooctadecan-3-ol
Molecular FormulaC18H39NO
Molecular Weight288.5
XLogP6.9
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity184
SMILES
[2H]C([2H])([2H])[C@@H]([C@@H](CCCCCCCCCCCCCCC)O)N
InChI
InChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/t17-,18+/m0/s1/i2D3
InChIKey
YRYJJIXWWQLGGV-DRPYBFESSA-N
Chemical Structure
2D Structure
2D structure of 1-Deoxysphinganine-d3
CAS: 1246298-31-6
CID: 131708702
Formula: C18H39NO
MW: 288.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight288.5
XLogP36.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass288.321995105
Monoisotopic Mass288.321995105
Topological Polar Surface Area46.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity184
Isotope Atom Count3
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes