3-Methylxanthine
3-Methylxanthine (CAS: 1076-22-8) is a purine derivative with the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. This compound serves as a valuable building block in chemical synthesis and is utilized in research related to cell biology and biochemical pathways. It is structurally related to other methylxanthines, known for their diverse physiological effects.
- IUPAC
- 2,6-Dihydroxy-3-methylpurine
- Synonyms
- 2,6-Dihydroxy-3-methylpurine

Chemical Synthesis Intermediate
3-Methylxanthine functions as a heterocyclic building block in organic synthesis. Its structure allows for further derivatization, making it useful in the creation of more complex molecules for research and development.
Biochemical Research
As a purine derivative, this compound is employed in biochemical studies, particularly within cell biology. It can be used to investigate metabolic pathways involving purines or as a reference compound in enzyme assays.
Pharmacological Research Tool
Related to known bioactive methylxanthines, 3-Methylxanthine may be used in pharmacological research to explore structure-activity relationships or as a tool compound in drug discovery efforts.
| Molecular weight | 166.14 |
|---|---|
| Empirical formula | C6H6N4O2 |
| Assay | 98% |
| Melting point | >300 °C(lit.) |

Hazard statements
- H302Harmful if swallowed
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 1 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 22 |
| Safety statements (S) | 22-24/25 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
| Gene Information | rat ... Adora1(29290), Adora2a(25369) |
|---|
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 3-Methylxanthine used for?
+
3-Methylxanthine is used as a building block in chemical synthesis and in research related to cell biology and biochemical pathways.
What is the CAS number and chemical formula for 3-Methylxanthine?
+
The CAS number is 1076-22-8, and the chemical formula is C6H6N4O2.
What grade and purity does Tech Serve Solutions supply?
+
Tech Serve Solutions supplies 3-Methylxanthine with an assay of 98%. TSS does not represent this product as USP, BP, EP, or any other pharmacopoeia grade.
What are the primary safety concerns when handling 3-Methylxanthine?
+
3-Methylxanthine is classified as harmful if swallowed (H302). Handling requires appropriate personal protective equipment, including a dust mask (type N95), eyeshields, and gloves. Avoid inhaling dust and contact with skin and eyes.
Is 3-Methylxanthine a controlled substance?
+
The provided data does not indicate that 3-Methylxanthine is a controlled substance.
How is 3-Methylxanthine packed and exported by TSS?
+
Tech Serve Solutions can pack and export 3-Methylxanthine globally. Please contact us for specific packaging and shipping details to your region.
How can I request a sample or quote for 3-Methylxanthine?
+
To request a sample or a quote for 3-Methylxanthine, please use the contact form on our website or email our sales department directly.
▶ Related products

1-(2-Fluorobenzyl)piperazine
C11H15FN2
Chemical Synthesis
1-(2-Fluorophenyl)biguanide hydrochloride
Chemical Synthesis

1-(2-Fluorophenyl)cyclopropanecarboxylic acid
C10H9FO2
Chemical Synthesis
1-(2-Fluorophenyl)piperazine
C10H13FN2
Chemical Synthesis
1-(2-Fluorophenyl)piperazine monohydrochloride
C10H13FN2 · HCl
Chemical Synthesis
1-(2-Furoyl)-1H-benzotriazole
C11H7N3O2
Chemical Synthesis
1-(2-Furoyl)piperazine
C9H12N2O2
Chemical Synthesis
1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione
Chemical Synthesis
▶ Explore more

3-Methyl-1,5-di-p-tolyl-1,4-pentazadiene
Chemical Synthesis

3-Methyl-1,5-pentanediol
Chemical Synthesis

3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
C11H13N3
Chemical Synthesis
3-Methyl-1-(3′-sulfoamidophenyl)-5-pyrazolone
C10H11N3O3S
Chemical Synthesis