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Aspalatone

CAT: 0804-HY-118072-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118072-01Size:5 mg
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Description
Aspalatone is an orally active antiplatelet aggregant with IC50 of 180 μM. Aspalatone has antioxidant and neuroprotective activities[1][2].
CAS Number
147249-33-0
UNSPSC
12352005
Target
Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/aspalatone.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=C(OC(C)=O)C=CC=C1)OC2=C(C)OC=CC2=O
Molecular Formula
C15H12O6
Molecular Weight
288.25
References & Citations
[1]Han BH, et al. Synthesis and antiplatelet effects of the new antithrombotic agent aspalatone with low ulcerogenicity. Arzneimittelforschung. 1994 Oct;44 (10) :1122-6.|[2]Kim HC, et al. Aspalatone, a new antiplatelet agent, attenuates the neurotoxicity induced by kainic acid in the rat. Life Sci. 1997;61 (24) :PL 373-81.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Aspalatone

structure given in first source

CAS Number147249-33-0
PubChem CID197341
IUPAC Name(2-methyl-4-oxopyran-3-yl) 2-acetyloxybenzoate
Molecular FormulaC15H12O6
Molecular Weight288.25
XLogP1.9
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity516
SMILES
CC1=C(C(=O)C=CO1)OC(=O)C2=CC=CC=C2OC(=O)C
InChI
InChI=1S/C15H12O6/c1-9-14(12(17)7-8-19-9)21-15(18)11-5-3-4-6-13(11)20-10(2)16/h3-8H,1-2H3
InChIKey
JVBIZYPCGNCWIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aspalatone
CAS: 147249-33-0
CID: 197341
Formula: C15H12O6
MW: 288.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.25
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass288.06338810
Monoisotopic Mass288.06338810
Topological Polar Surface Area78.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-291913Aspalatone

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