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

3-Methylxanthine  Struktur
1076-22-8
CAS-Nr.
1076-22-8
Bezeichnung:
3,7-Dihydro-3-methyl-1H-purin-2,6-dion
Englisch Name:
3-Methylxanthine
Synonyma:
3-METHYLXANTHINE;3-Methyl-3,7-dihydro-1H-purine-2,6-dione;3-Methylxantine;Linaint-E;AKOS NCG-0058;3-Methy-xanthine;3-methyl-xanthin;Zotepine Impurity6;3-Methylxanthine>3-methyl-7H-xanthine
CBNumber:
CB6349064
Summenformel:
C6H6N4O2
Molgewicht:
166.14
MOL-Datei:
1076-22-8.mol

3,7-Dihydro-3-methyl-1H-purin-2,6-dion 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
L?slichkeit
DMSO (Slightly, Heated), Methanol (Slightly)
Aggregatzustand
Solid
pka
pK1:8.10;pK2:11.3 (25°C)
Farbe
White to Pale Beige
Wasserl?slichkeit
Insoluble in water.
BRN 
180944
InChI
InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
InChIKey
GMSNIKWWOQHZGF-UHFFFAOYSA-N
SMILES
N1C2=C(N(C)C(=O)NC2=O)NC=1
CAS Datenbank
1076-22-8(CAS DataBase Reference)
Sicherheit
  • Risiko- und Sicherheitserkl?rung
  • Gefahreninformationscode (GHS)
Kennzeichnung gef?hrlicher Xn,T+
R-S?tze: 22-26/27/28
S-S?tze: 22-24/25
WGK Germany  1
RTECS-Nr. ZD8750000
HS Code  29335990
Speicherklasse 11 - Combustible Solids
Toxizit?t LD50 intraperitoneal in mouse: 894mg/kg
Bildanzeige (GHS) Exclamation Mark (GHS07)
Alarmwort Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code
H302 Gesundheitssch?dlich bei Verschlucken. Akute Toxizit?t oral Kategorie 4 Warnung P264, P270, P301+P312, P330, P501
Sicherheit

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

R-S?tze Betriebsanweisung:

R22:Gesundheitssch?dlich beim Verschlucken.
R26/27/28:Sehr giftig beim Einatmen, Verschlucken und Berührung mit der Haut.

S-S?tze 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.

Allgemeine Beschreibung

3-Methylxanthine, a metabolite of theophylline, was quantitated in rat plasma by a sensitive LC-MS/MS method.

l?uterung methode

Crystallise it from water. [Beilstein 26 II 263, 26 III/IV 2329.]

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

Upstream-Materialien

Downstream Produkte


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

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1076-22-8(3,7-Dihydro-3-methyl-1H-purin-2,6-dion)Verwandte Suche:


  • AKOS NCG-0058
  • 2,6-DIHYDROXY-3-METHYLPURINE
  • 3-methyl-7H-purine-2,6-dione
  • 3,7-dihydro-3-methyl-1H-purine-2,6-dione
  • 3-METHYLXANTHINE XANTHINE DERIVATIVE
  • 3-METHYLXANTHINE CRYSTALLINE
  • 3-Methyl-9H-purine-2,6(1H,3H)-dione
  • 3-methyl-7H-purine-2,6-quinone
  • 3-Methyl-1H-purine-2,6(3H,7H)-dione
  • 3-Methyl-3H-purine-2,6-diol
  • 3-Methy-xanthine
  • 3-METHYLXANTHINE 98+%
  • 1H-Purine-2,6-dione, 3,9-dihydro-3-Methyl-
  • Theophylline Impurity B
  • 3-methyl-7H-xanthine
  • Theophylline Related Compound B
  • 3,7-dihydro-3-methyl-1h-purine-6-dione
  • 3-methyl-xanthin
  • 3-methyl-9H-xanthine
  • Theophylline-ethylenediamine Impurity 2(Theophylline-ethylenediamine EP Impurity B)
  • Theophylline-ethylenediamine EP Impurity B
  • 3 METHYL XANTHINE (1076-22-8)
  • 6-Dihydroxy-3-methylpurine
  • Linaint-E
  • Theophylline EP Impurity B
  • Pentoxifylline EP impurity B
  • Pentoxifylline Impurity 2(Pentoxifylline EP Impurity B)
  • 3-Methylxanthine>
  • Linagliptin 3-Methyl Xanthine Impurity
  • Theophylline EP Impurity B (Pentoxifylline EP Impurity B)
  • Pentoxifylline Impurity 2(Pentoxifylline EP Impurity A)
  • 2,6-Dihydroxy-3-methylpurine USP/EP/BP
  • (2-(chloromethyl)-4-methylquinazoline),2,6-Dihydroxy-3-methylpurine
  • Linagliptin intermediates,2,6-Dihydroxy-3-methylpurine
  • Linagliptin 3-Methyl Xanthine Impurity (Pentoxifylline EP Impurity B/ Theophylline EP Impurity B)
  • Pentoxifylline EP Impurity B (Theophylline EP Impurity B/ Linagliptin 3-Methyl Xanthine Impurity)
  • Theophylline EP Impurity B (Pentoxifylline EP Impurity B/ Linagliptin 3-Methyl Xanthine Impurity)
  • TIANFU-CHEM - 2,6-Dihydroxy-3-methylpurine
  • Theophylline Related Compound B (3-Methyl-1H-purine-2,6-dione) (1653026)
  • 3-METHYLXANTHINE
  • 3-Methylxantine
  • Theophylline USP Related Compound B
  • 3-Methyl-3,7-dihydropurine-2,6-dione
  • b . 3-me th yl-3,7-d i h yd ro-1h -puri ne -2,6-d i one ,
  • Theophylline (Pentoxifylline) EP Impurity B
  • Linagliptin intermediate 3-Methylxanthine( india site)
  • 3-Methylxanthine, ≥ 98.0%
  • Zotepine Impurity6
  • 3-Methyl-3,7-dihydro-1H-purine-2,6-dione (3-Methylxanthine)
  • 3-Methylxanthine, 10 mM in DMSO
  • Theophylline Impurity B(Pentoxifylline EP Impurity B)
  • PENTOXIFYLLINE EP IMPURITY B/3-METHYL XANTHINE
  • 3-Methylxanthine ,S6186
  • Theophylline EP Impurity B (Theophylline USP Related Compound B, Pentoxifylline EP Impurity B)
  • Pentoxifylline Impurity B
  • Theophylline-Ethylenediamine Impurity B
  • 3-Methyl-3,7-dihydro-1H-purine-2,6-dione
  • 1076-22-8
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