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

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

CAS-Nr611-59-6

Englisch Name:1,7-DIMETHYLXANTHINE

CBNumberCB6674070

SummenformelC7H8N4O2

Molgewicht180.16

MOL-Datei611-59-6.mol

Synonyma

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

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

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

Gefahreninformationscode (GHS)

1,7-DIMETHYLXANTHINE 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 (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).
Verwenden
Paraxanthine is an adenosine receptor ligand and a major metabolite of caffeine.This compound is a contaminant of emerging concern (CECs).
Verwenden
adenosine receptor agonist, CNS stimulant
Definition
ChEBI: 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 human xenobiotic metabolite, a human blood serum metabolite and a mouse metabolite.
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.
Biochem/physiol Actions
Adenosine receptor ligand; major metabolite of caffeine
Sicherheitsprofil
An experimental teratogen. Mutation data reported. Whenheated to decomposition it emits toxic fumes of NOx.

1,7-DIMETHYLXANTHINE Upstream-Materialien And Downstream Produkte

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

611-59-6, 1,7-DIMETHYLXANTHINE Verwandte Suche:

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