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3,7-Dihydro-1,7-dimethyl-1H-purin-2,6-dion

1,7-DIMETHYLXANTHINE Struktur
611-59-6
CAS-Nr.
611-59-6
Bezeichnung:
3,7-Dihydro-1,7-dimethyl-1H-purin-2,6-dion
Englisch Name:
1,7-DIMETHYLXANTHINE
Synonyma:
PARAXANTHINE;Caffeine EP Impurity F;1,7-diMethyl-1H-purine-2,6(3H,7H)-dione;1,7-Dimethyl-1H-purine-2,6-dione, 1,7-Dimethylxanthine, 2,6-Dihydroxy-1,7-dimethylpurine, Paraxanthine;Paraxanthin;Paraxanthine-d3;Caffeine IMpurity F;1,7-DIMETHYLXANTHINE;Paraxanthine solution;13C,2H3]-Paraxanthine
CBNumber:
CB6674070
Summenformel:
C7H8N4O2
Molgewicht:
180.16
MOL-Datei:
611-59-6.mol
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3,7-Dihydro-1,7-dimethyl-1H-purin-2,6-dion Eigenschaften

Schmelzpunkt:
294-296 °C (lit.)
Siedepunkt:
312.97°C (rough estimate)
Dichte
1.3640 (rough estimate)
Brechungsindex
1.6700 (estimate)
Flammpunkt:
9℃
storage temp. 
room temp
Löslichkeit
ethanol: 0.6mg/mL
Aggregatzustand
solid
pka
pKa 8.5 (Uncertain)
Farbe
white
BRN 
197907
Stabilität:
Store tightly sealed at RT
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
SMILES
N1(C)C2=C(NC(=O)N(C)C2=O)N=C1
EPA chemische Informationen
1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl- (611-59-6)
Sicherheit
  • Risiko- und Sicherheitserklärung
  • Gefahreninformationscode (GHS)
Kennzeichnung gefährlicher Xn,T,F
R-Sätze: 22-39/23/24/25-23/24/25-11
S-Sätze: 22-24/25-45-36/37-16-7
RIDADR  UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany  3
RTECS-Nr. RV9380000
HS Code  2933.59.9500
Toxizität mmo-esc 150 mg/L CSHSAZ 16,337,52
Bildanzeige (GHS) GHS hazard pictograms
Alarmwort Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code
H302 Gesundheitsschädlich bei Verschlucken. Akute Toxizität oral Kategorie 4 Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" /> P264, P270, P301+P312, P330, P501
Sicherheit

3,7-Dihydro-1,7-dimethyl-1H-purin-2,6-dion Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:

R22:Gesundheitsschädlich beim Verschlucken.

S-Sätze Betriebsanweisung:

S22:Staub nicht einatmen.
S24/25:Berührung mit den Augen und der Haut vermeiden.

Beschreibung

Paraxanthine is an inhibitor of phosphodiesterase 9 (PDE9) and an antagonist of adenosine receptors A1 and A2 (Kis = 35 and 22 μM, respectively in equine forebrain tissues). It is the main metabolite of caffeine in humans, making up 80% of the three dimethylxanthine metabolites produced by caffeine demethylation. Paraxanthine increases locomotor activity and counteracts adenosine receptor agonist-induced motor depression in rats not habituated to caffeine. At a dose of 30 mg/kg, paraxanthine induces a significant increase in striatal cGMP and extracellular striatal dopamine concentrations in vivo. It also promotes wakefulness and increases locomotor activity and core temperature in narcoleptic transgenic mice without increasing behavioral anxiety.

Chemische Eigenschaften

Off-White to Pale Yellow Solid

Verwenden

1,7-Dimethylxanthine has been used for the quantification of caffeine by high-performance liquid chromatography (HPLC).

Allgemeine Beschreibung

Paraxanthine is a major plasma and urinary metabolite of caffeine. This xanthine derivative is, along with caffeine, a central nervous system stimulant. This Snap-N-Spike? reference solution is applicable for caffeine quantitation in clinical toxicology or urine drug testing by LC-MS/MS or GC/MS.

Sicherheitsprofil

An experimental teratogen. Mutation data reported. Whenheated to decomposition it emits toxic fumes of NOx.

3,7-Dihydro-1,7-dimethyl-1H-purin-2,6-dion Upstream-Materialien And Downstream Produkte

Upstream-Materialien

Downstream Produkte

Theophyllin

3,7-Dihydro-1,7-dimethyl-1H-purin-2,6-dion Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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611-59-6(3,7-Dihydro-1,7-dimethyl-1H-purin-2,6-dion)Verwandte Suche:

Theobromin Theophyllin Xantinolnicotinat 3,7-Dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purin-2,6-dion Theophyllin-7-ylessigsure 7-(2-Chlorethyl)-1,3-dimethyl-(1H,3H)-purin-2,6-dion 3,7-Dihydro-1,7-dimethyl-1H-purin-2,6-dion 3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purin-2,6-dion Diprophyllin Pentoxifyllin 3,9-Dihydro-1,9-dimethyl-1H-purin-2,6-dion Pentifyllin Purin Cholintheophyllinat 3,9-Dihydro-3,9-dimethyl-1H-purin-2,6-dion
  • 1,7-dimethyl-3H-purine-2,6-dione
  • 1,7-Dimethyl-1H-purine-2,6-dione, 2,6-Dihydroxy-1,7-dimethylpurine, Paraxanthine
  • 1,7-Dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • 1,7-Dimethylxanthine-[13C4,15N3] (para-xanthine)
  • 1,7-Dimethylxanthine-[2H6] (para-xanthine)
  • Paraxanthine-d3
  • IMp. F (EP): 1,7-DiMethyl-3,7-dihydro-1H-purine-2,6-dione(Paraxanthine
  • Caffeine IMpurity F
  • Paraxanthine solution
  • 2,6-DIHYDROXY-1,7-DIMETHYLPURINE
  • 3,7-dihydro-1,7-dimethyl-1h-purine-6-dione
  • 1,7-DIMETHYLXANTHINE
  • 3,7-dihydro-1,7-dimethyl-1H-purine-2,6-dione
  • 1,7-DIMETHYLXANTHINE >95% (PARAXANTHINE) LIGAND
  • 1,7-dimethyl-1h-purine-2,6-dione
  • Caffeine Impurity F(EP)
  • Caffeine Impurity 6(Caffeine EP Impurity F)
  • Caffeine EP Impurity F (Paraxanthine)
  • 3,7-Dihydro-1,7-dimethyl-1H-purin-2,6-dion
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-
  • Paraxanthin
  • 1,7-Dimethyl-1H-purine-2,6-dione, 1,7-Dimethylxanthine, 2,6-Dihydroxy-1,7-dimethylpurine, Paraxanthine
  • 1,7-diMethyl-1H-purine-2,6(3H,7H)-dione
  • PARAXANTHINE
  • Caffeine EP Impurity F
  • 4H-1-Benzopyran-4-one,7-fluoro-2,3-dihydro-2,3-dimethyl-
  • 3-Furancarboxylicacid,5-(chlorosulfonyl)-3-methyl-,methylester
  • 13C,2H3]-Paraxanthine
  • Paraxanthine 1,7-Dimethylxanthine
  • Caffeine Related Compound F (20 mg) (1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione)
  • 611-59-6
  • Building Blocks
  • BioChemical
  • Cell Signaling and Neuroscience
  • Cell Biology
  • Cyclic Nucleotide Metabolism
  • G Proteins and Cyclic Nucleotides
  • Heterocyclic Building Blocks
  • Purines
  • Phosphodiesterase Inhibitors
  • Isolabel
  • Amines
  • Heterocycles
  • Metabolites & Impurities
  • Phosphorylating and Phosphitylating Agents
  • Various Metabolites and Impurities
  • Metabolites
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