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

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

CAS-Nr1076-22-8

Englisch Name:3-Methylxanthine

CBNumberCB6349064

SummenformelC6H6N4O2

Molgewicht166.14

MOL-Datei1076-22-8.mol

Synonyma

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

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

Schmelzpunkt	>300 °C (lit.)
Siedepunkt	294.33°C (rough estimate)
Dichte	1.4434 (rough estimate)
Brechungsindex	1.6700 (estimate)
storage temp.	2-8°C
Löslichkeit	DMSO (Slightly, Heated), Methanol (Slightly)
Aggregatzustand	Solid
pka	pK1:8.10;pK2:11.3 (25°C)
Farbe	White to Pale Beige
Wasserlöslichkeit	Insoluble in water.
BRN	180944
InChIKey	GMSNIKWWOQHZGF-UHFFFAOYSA-N
CAS Datenbank	1076-22-8(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xn,T+
R-Sätze:	22-26/27/28
S-Sätze:	22-24/25
WGK Germany	1
RTECS-Nr.	ZD8750000
HS Code	29335990
Toxizität	LD50 intraperitoneal in mouse: 894mg/kg

Gefahreninformationscode (GHS)

3-Methylxanthine Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R22:Gesundheitsschädlich beim Verschlucken.
R26/27/28:Sehr giftig beim Einatmen, Verschlucken und Berührung mit der Haut.
S-Sätze Betriebsanweisung:
S22:Staub nicht einatmen.
S24/25:Berührung mit den Augen und der Haut vermeiden.
Beschreibung
3-Methylxanthine is one of the metabolites of theophylline. After oral intake, approximately 36% is excreted in the urine as 3-methylxanthine, 40% as 1,3-dimethyluric acid and 17% as 1-methyluric acid. 3-methylxanthine (3MX) has been assessed as an adenosine antagonist and produces the same maximal relaxation of guinea pig tracheal muscle as does. 3MX is also used to examine conformational heterogeneity in RNA aptamers and riboswitches[1-2].
Chemische Eigenschaften
Light yellow powder
Verwenden
3-Methylxanthine is a Xanthine derivative with diuretic, cardiac stimulant and smooth muscle relaxant activities; isomeric with theobromine.They can also act as Bronchodilator.
Definition
ChEBI: 3-methyl-9H-xanthine is a 3-methylxanthine tautomer where the imidazole proton is located at the 9-position. It has a role as a metabolite. It is a tautomer of a 3-methyl-7H-xanthine.
Biosynthese
As the primary intermediate of theobromine degradation, 3-methylxanthine might be degraded by A. tamarii PT-7 and other candidate isolates in the liquid culture. The accumulation of 3-methylxanthine increased along with theobromine degradation since it was detected in the liquid culture after cultivation for 24?h. Over 6 days of cultivation of A. sydowii PT-2, 3-methylxanthine was produced and increased significantly (p?<?0.05) with an increasing initial theobromine concentration, respectively, showing a linear relationship between theobromine degradation and 3-methylxanthine accumulation[3].
Allgemeine Beschreibung
3-Methylxanthine, a metabolite of theophylline, was quantitated in rat plasma by a sensitive LC-MS/MS method.
läuterung methode
Crystallise it from water. [Beilstein 26 II 263, 26 III/IV 2329.]
Einzelnachweise
[1] R. Sellman, &P. J. Klemi. “Kidney toxicity of 3-methylxanthine in the rat.” Journal of Applied Toxicology 4 6 (1984): 304–307.
[2] K. H. Algharrawi. “Direct conversion of theophylline to 3-methylxanthine by metabolically engineered E. coli.” Microbial Cell Factories 14 1 (2015).
[3] Binxing Zhou. “3-Methylxanthine production through biodegradation of theobromine by Aspergillus sydowii PT-2.” BMC Microbiology (2020): 269.

3-Methylxanthine Upstream-Materialien And Downstream Produkte

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

1076-22-8, 3-Methylxanthine Verwandte Suche:

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