2,6-Dihydroxy-3-methylpurine

2,6-Dihydroxy-3-methylpurine Basic information
Product Name:2,6-Dihydroxy-3-methylpurine
Synonyms: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
CAS:1076-22-8
MF:C6H6N4O2
MW:166.14
EINECS:214-058-1
Product Categories:Heterocycles series;Bioactive Small Molecules;Building Blocks;Cell Biology;Chemical Synthesis;Heterocyclic Building Blocks;Pyridines, Pyrimidines, Purines and Pteredines;M;Purines;J's;1076-22-8
Mol File:1076-22-8.mol
2,6-Dihydroxy-3-methylpurine Structure
2,6-Dihydroxy-3-methylpurine Chemical Properties
Melting point >300 °C (lit.)
Boiling point 294.33°C (rough estimate)
density 1.4434 (rough estimate)
refractive index 1.6700 (estimate)
storage temp. 2-8°C
solubility DMSO (Slightly, Heated), Methanol (Slightly)
pkapK1:8.10;pK2:11.3 (25°C)
form Solid
color White to Pale Beige
Water Solubility Insoluble in water.
BRN 180944
InChIKeyGMSNIKWWOQHZGF-UHFFFAOYSA-N
CAS DataBase Reference1076-22-8(CAS DataBase Reference)
Safety Information
Hazard Codes Xn,T+
Risk Statements 22-26/27/28
Safety Statements 22-24/25
WGK Germany 1
RTECS ZD8750000
HS Code 29335990
ToxicityLD50 intraperitoneal in mouse: 894mg/kg
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
2,6-Dihydroxy-3-methylpurine Usage And Synthesis
Chemical PropertiesLight yellow powder
Uses3-Methylxanthine is a Xanthine derivative with diuretic, cardiac stimulant and smooth muscle relaxant activities; isomeric with theobromine.They can also act as Bronchodilator.
DefinitionChEBI: 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.
General Description3-Methylxanthine, a metabolite of theophylline, was quantitated in rat plasma by a sensitive LC-MS/MS method.
Purification MethodsCrystallise it from water. [Beilstein 26 II 263, 26 III/IV 2329.]
2,6-Dihydroxy-3-methylpurine Preparation Products And Raw materials
Raw materialsSodium-->N,N-Dimethylformamide-->Sodium nitrite-->p-Toluenesulfonic acid-->Triethyl orthoformate-->Ethyl cyanoacetate-->Sodium dithionite-->Methylurea
IMP Solvent Red 43 Methyl methylxanthine N,N-Dimethylformamide Mesotrione (-)-2-[METHYLAMINO]-1-PHENYLPROPANE Tribenuron methyl EC 1.1.3.22 6-Hydroxypurine PIPERONYL METHYL KETONE METHYL-2-PYRROLIDONE Kresoxim-methyl Purine Thiophanate-methyl Methyl salicylate 4-Methyl-2-pentanone 1,3-Dimethylbarbituric acid

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