3,7-Dihydro-1,7-dimethyl-1H-purin-2,6-dion
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- 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)
Bildanzeige (GHS) |
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Alarmwort |
Warnung |
Gefahrenhinweise |
Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
H302 |
Gesundheitsschädlich bei Verschlucken. |
Akute Toxizität oral |
Kategorie 4 |
Warnung |
src="/GHS07.jpg" width="20" height="20" /> |
P264, P270, P301+P312, P330, P501 |
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Sicherheit |
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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 A
1 and A
2 (K
is = 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
3,7-Dihydro-1,7-dimethyl-1H-purin-2,6-dion Anbieter Lieferant Produzent Hersteller Vertrieb Händler.
Global( 151)Lieferanten
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