3-Methylxanthine

CAS Number: 1076-22-8

Molecular Formula: C6H6N4O2

Purity: 3-Methylxanthine 98% purity

About 3-Methylxanthine

3-Methylxanthine (CAS 1076-22-8) serves as a critical biomarker and metabolic intermediate in the American pharmaceutical landscape, where Pharma/API purity 99% is essential for US-based researchers investigating theophylline and caffeine metabolic pathways. 3,7-Dihydro-3-methyl-1H-purine-2,6-dione has seen increased d...

Synonyms

3-methylxanthine
3-methylxanthine, methyl-(13)C-labeled
3-methylxanthine, monopotassium salt
3-methylxanthine, monosodium salt
3-Methylxanthine

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3-Methylxanthine Specifications

CAS Number

1076-22-8

Molecular Formula

C6H6N4O2

Molecular Weight

166.14 g/mol

IUPAC Name

3-methyl-7H-purine-2,6-dione

Canonical SMILES

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

InChI Key

GMSNIKWWOQHZGF-UHFFFAOYSA-N

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)

HSN No

29335990

CAS Number

1076-22-8

Molecular Formula

C6H6N4O2

Molecular Weight

166.14 g/mol

IUPAC Name

3-methyl-7H-purine-2,6-dione

Canonical SMILES

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

InChI Key

GMSNIKWWOQHZGF-UHFFFAOYSA-N

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)

HSN No

29335990

melting_point

> 300 °C

logP

-0.50

Molecular Weight

166.14 g/mol

Purity

3-Methylxanthine 98% purity

Phosphodiesterase Inhibitor

A cyclic guanosine monophosphate (cGMP) phosphodiesterase (PDE) inhibitor used in pharmacological research to study trachealis smooth muscle relaxation and the metabolic pathways of methylxanthines

Reference Standard

An analytical grade compound utilized as a high-purity reference material for qualitative and quantitative analysis in HPLC, GC, and MS applications

Pharmaceutical Intermediate

A major metabolite of theophylline and caffeine used in clinical studies to investigate xenobiotic metabolism and the disposition of xanthine derivatives

Chemical Building Block

A heterocyclic organic building block employed in the synthesis of complex bioactive molecules and the development of synthetic riboswitches for protein translation.