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Paraxanthine

CAT: 0013-GTR19169414-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169414-02Size:10 mg
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Description
Paraxanthine (1,7-dimethylxanthine), a primary caffeine metabolite, acts as an adenosine receptor antagonist and phosphodiesterase inhibitor, elevating cAMP to modulate inflammation. It is utilized in research on pulmonary biology, neuropharmacology, and inflammation, with applications in both cellular and animal models to study adenosine signaling and inflammatory pathways.
CAS Number
611-59-6
Product Name Alternative
1,7-DIMETHYLXANTHINE, inhibit, Paraxanthine, Inhibitor, Human Endogenous Metabolite, EndogenousMetabolite, Endogenous Metabolite
Field of Research
Metabolism Research
Purity
99.62% (May vary between batches)
Solubility
DMSO:5.5 mg/mL (30.53 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (5.55 mM) ; H2O:1 mg/mL (5.55 mM)
Smiles
Cn1cnc2[nH]c (=O) n (C) c (=O) c12
Molecular Formula
C7H8N4O2
Molecular Weight
180.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Paraxanthine

1,7-dimethylxanthine is a dimethylxanthine having the two methyl groups located at positions 1 and 7. It is a metabolite of caffeine and theobromine in animals. It has a role as a central nervous system stimulant, a mouse metabolite, a human xenobiotic metabolite and a human blood serum metabolite.

CAS Number611-59-6
PubChem CID4687
IUPAC Name1,7-dimethyl-3H-purine-2,6-dione
Molecular FormulaC7H8N4O2
Molecular Weight180.16
XLogP-0.2
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity267
SMILES
CN1C=NC2=C1C(=O)N(C(=O)N2)C
InChI
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
InChIKey
QUNWUDVFRNGTCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Paraxanthine
CAS: 611-59-6
CID: 4687
Formula: C7H8N4O2
MW: 180.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.16
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass180.06472551
Monoisotopic Mass180.06472551
Topological Polar Surface Area67.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity267
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
TRC-P192500-100MGParaxanthine
T71327-01Paraxanthine-d6
TRC-P192503-10MGParaxanthine-d3

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