T4146

1,3,9-Trimethylxanthine

≥98% (HPLC), solid

• Synonym(s): 2,6-Dihydroxy-1,3,9-trimethylpurine, Isocaffeine
• Empirical Formula (Hill Notation): C₈H₁₀N₄O₂
• CAS Number: 519-32-4
• Molecular Weight: 194.19
• Beilstein/REAXYS Number: 196140
• EC Number: 208-267-7
• MDL number: MFCD00022834
• UNSPSC Code: 41106305
• PubChem Substance ID: 24900197

Properties

• biological source: synthetic (organic)
• assay: ≥98% (HPLC)
• form: solid
• solubility: H₂O: >20 mg/mL
• storage temp.: room temp
• SMILES string: CN1C(=O)N(C)c2c(ncn2C)C1=O
• InChI: 1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3
• InChI key: LPHGQDQBBGAPDZ-UHFFFAOYSA-N

Description

Application

1,3,9-Trimethylxanthine (Isocaffeine) may be used to study the mechanism of inositol-trisphosphate (Ins-P3) induced calcium release. 1,3,9-Trimethylxanthine may be used as an internal standard for measuring metabolites of caffeine in urine and other fluids by HPLC or capillary electrophoresis. 1,3,9-Trimethylxanthine may be used in studies on the binding of caffeine analogues to adenosine receptors.

Biochem/physiol Actions

1,3,9-Trimethylxanthine is an adenosine receptor antagonist.

Safety Information

• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)