CAS 1076-22-8

3-Methylxanthine

Description:

3-Methylxanthine is a purine derivative and a methylated form of xanthine, classified as a stimulant and a metabolite of caffeine and theobromine. Its molecular formula is C7H8N4O2, and it features a bicyclic structure composed of a fused imidazole and pyrimidine ring. This compound is characterized by the presence of three nitrogen atoms and two carbonyl groups, contributing to its biological activity. 3-Methylxanthine exhibits moderate solubility in water and is often studied for its potential effects on the central nervous system, including its role in enhancing cognitive function and physical performance. It is also of interest in pharmacological research due to its potential as a therapeutic agent in various conditions, including respiratory diseases. The compound can be synthesized through methylation of xanthine and is typically analyzed using techniques such as high-performance liquid chromatography (HPLC) for purity and concentration. Overall, 3-Methylxanthine serves as an important compound in both biochemistry and pharmacology, with implications for health and disease management.

Formula: C₆H₆N₄O₂

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)

InChI key: InChIKey=GMSNIKWWOQHZGF-UHFFFAOYSA-N

SMILES: CN1C2=C(C(=O)NC1=O)NC=N2

Synonyms:

• 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-
• 1H-Purine-2,6-dione, 3,9-dihydro-3-methyl-
• 2,6-Dihydroxy-3-methylpurine
• 3 Mx
• 3,7-Dihydro-3-methyl-1H-purine-2,6-dione
• 3,9-Dihydro-3-methyl-1H-purine-2,6-dione
• 3-Methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
• 3-Methyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
• 3-Methyl-3,7-dihydropurine-2,6-dione
• 3-Methyl-3,9-dihydro-purine-2,6-dione
• 3-Methyl-7H-purine-2,6-dione
• 3-methyl-1H-purine-2,6(3H,7H)-dione
• 3-methyl-3,7-dihydro-1H-purine-2,6-dione
• 3-methyl-3H-purine-2,6-diol
• Ccris 5817
• Nsc 515466
• Xanthine, 3-methyl-

3-Methylxanthine

CAS: 1076-22-8

Formula: C₆H₆N₄O₂

Purity: >98.0%(T)(HPLC)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 166.14

Ref: 3B-M2073

3-Methylxanthine, 98+%

CAS: 1076-22-8

3-Methylxanthine is a Xanthine derivative with diuretic, cardiac stimulant and smooth muscle relaxant activities; isomeric with theobromine.They can also act as Bronchodilator. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation

Formula: C₆H₆N₄O₂

Purity: 98+%

Color and Shape: Powder, Pale cream to cream

Molecular weight: 166.14

Ref: 02-L14986

Theophylline Related Compound B (3-Methyl-1H-purine-2,6-dione)

CAS: 1076-22-8

Theophylline and aminophylline (excluding fenetylline) and their derivatives, salts thereof, not elsewhere specified or included

Formula: C₆H₆N₄O₂

Color and Shape: Light Yellow Powder

Molecular weight: 166.04908

Ref: 45-1653026

3-Methylxanthine

CAS: 1076-22-8

3-Methylxanthine inhibits GMP & xanthine crystallization; IC50 of 920 μM in guinea-pig trachealis; may prevent renal calculi in xanthinuria.

Formula: C₆H₆N₄O₂

Purity: 98% - ≥98%

Color and Shape: Liquid

Molecular weight: 166.14

Ref: TM-PDK0014

3-Methyl-1H-purine-2,6(3H,7H)-dione

CAS: 1076-22-8

Formula: C₆H₆N₄O₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 166.1374

Ref: IN-DA0033RO

Theophylline EP Impurity B (Theophylline USP Related Compound B, Pentoxifylline EP Impurity B)

CAS: 1076-22-8

Formula: C₆H₆N₄O₂

Color and Shape: Off-White Solid

Molecular weight: 166.14

Ref: 4Z-T-6010

3-Methylxanthine

CAS: 1076-22-8

Formula: C₆H₆N₄O₂

Molecular weight: 166.14

Ref: 7W-GK3989

3-Methylxanthine, 10mM (in DMSO)

CAS: 1076-22-8

3-Methylxanthine, 10mM (in DMSO)

Purity: ≥98%

Molecular weight: 166.14g/mol

Ref: 54-BUP18934

3-Methylxanthine

CAS: 1076-22-8

Formula: C₆H₆N₄O₂

Color and Shape: Neat

Molecular weight: 166.14

Ref: 04-C15148600

Theophylline EP Impurity B (Pentoxifylline EP Impurity B)

Controlled Product

CAS: 1076-22-8

Formula: C₆H₆N₄O₂

Color and Shape: Neat

Molecular weight: 166.14

Ref: 86-MM0176.03

3-Methyl-3,7-dihydro-1H-purine-2,6-dione

CAS: 1076-22-8

3-Methyl-3,7-dihydro-1H-purine-2,6-dione

Formula: C₆H₆N₄O₂

Purity: ≥95%

Color and Shape: light gold/tan. lumpy powder

Molecular weight: 166.14g/mol

Ref: 54-OR20005

3-Methyl-1H-purine-2,6(3H,7H)-dione

CAS: 1076-22-8

Formula: C₆H₆N₄O₂

Purity: 95%

Color and Shape: Solid, Light yellow powder

Molecular weight: 166.14

Ref: 10-F079433

3-Methylxanthine

Controlled Product

CAS: 1076-22-8

Diuretic; cardiac stimulant; smooth muscle relaxant; bronchodilator

Formula: C₆H₆N₄O₂

Purity: Min. 98 Area-%

Color and Shape: Powder

Molecular weight: 166.14 g/mol

Ref: 3D-FM08044

3-Methylxanthine

Controlled Product

CAS: 1076-22-8

Impurity Pentoxifylline EP Impurity B
Applications 3-Methylxanthine (Pentoxifylline EP Impurity B) is a metabolite of Theophylline (58-55-9), which is a Xanthine (X499950) derivative with diuretic, cardiac stimulant and smooth muscle relaxant activities; isomeric with theobromine.They can also act as Bronchodilator.
References Cohen, J.L., et al.: Anal. Profiles Drug Subs., 4, 466 (1975); Svedmyr, K., et al.: Allergy, 37, 111 (1982);

Formula: C₆H₆N₄O₂

Color and Shape: Beige

Molecular weight: 166.14

Ref: TR-M338570

Pentoxifylline EP Impurity B

CAS: 1076-22-8

Formula: C₆H₆N₄O₂

Molecular weight: 166.14

Ref: ST-EA-CP-P17002