3,7-Dihydro-3-methyl-1H-purin-2,6-dion
|
|
|
- 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
- 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
- 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 Sicherheitserklärung
- Gefahreninformationscode (GHS)
| 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 |
|
|
| Bildanzeige (GHS) |
|
| Alarmwort |
Warnung |
| Gefahrenhinweise |
| Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
| H302 |
Gesundheitsschädlich bei Verschlucken. |
Akute Toxizität oral |
Kategorie 4 |
Warnung |
![GHS hazard pictograms]() src="/GHS07.jpg" width="20" height="20" /> |
P264, P270, P301+P312, P330, P501 |
|
| Sicherheit |
|
3,7-Dihydro-3-methyl-1H-purin-2,6-dion 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.
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.]
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 Händler.
Global( 542)Lieferanten
1076-22-8(3,7-Dihydro-3-methyl-1H-purin-2,6-dion)Verwandte Suche:
Purin-6(1H)-on
4-Methylpentan-2-on
Oxidase, Xanthin-
Kresoxim-methyl
2-(3,6-Dihydroxy-2,4,5,7-tetrabromxanthen-9-yl)-benzoesure
Carboxymethyl cellulose
Tetramethylammoniumhydroxid
Inosin-5'-monophosphat
N,N-Dimethylformamid
Tribenuron methyl
1,3-Dimethylbarbitursure
Mesotrione
Methylsalicylat
Purin
6-Methoxyguanine
2-[[[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoic acid methyl ester
Purin-2(3H),6(1H)-dion
Thiophanat-methyl
- 3-METHYLXANTHINE
- Theophylline-ethylenediamine Impurity 2（Theophylline-ethylenediamine EP Impurity B）
- 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-3,7-dihydro-1H-purine-2,6-dione
- 3-Methyl-9H-purine-2,6(1H,3H)-dione
- 3-Methylxantine
- 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-ethylenediamine EP Impurity B
- 3 METHYL XANTHINE (1076-22-8)
- Theophylline Related Compound B
- 3,7-dihydro-3-methyl-1h-purine-6-dione
- 3-methyl-xanthin
- 3-methyl-9H-xanthine
- 6-Dihydroxy-3-methylpurine
- Linaint-E
- Theophylline EP Impurity B
- Pentoxifylline EP impurity B
- Pentoxifylline Impurity 2(Pentoxifylline EP Impurity B)
- 3-Methylxanthine>
- Theophylline EP Impurity B (Pentoxifylline EP Impurity B)
- Linagliptin 3-Methyl Xanthine Impurity
- 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
- Pentoxifylline EP Impurity B (Theophylline EP Impurity B/ Linagliptin 3-Methyl Xanthine Impurity)
- Linagliptin 3-Methyl Xanthine Impurity (Pentoxifylline EP Impurity B/ Theophylline EP Impurity B)
- 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)
- Pentoxifylline Impurity B
- Theophylline-Ethylenediamine Impurity B
- 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
- 1076-22-8
- 107-22-8
