2,6-Dihydroxy-3-methylpurine CAS1076-22-8
Pharmaceutical Materials 2025-03-03
2,6-Dihydroxy-3-methylpurine, also known as 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 white crystalline solid exhibits antioxidant and anti-inflammatory properties, making it valuable in pharmaceutical research and drug development. It acts as an intermediate in synthesizing drugs like linagliptin and has potential therapeutic applications in treating conditions such as asthma, where it inhibits GMP in tracheal muscles with an IC₅₀ value of 920 μM. Its synthesis routes involve derivatives of xanthine and uracil, and it is sparingly soluble in water but stable under ambient conditions. Safety precautions include avoiding exposure to oxidizing agents and using protective gear during handling.
Usage： Used as pharmaceutical intermediate.
Packaging and Shipping： 25kgs/Bag or Drum or as required by buyer.
Storage: Store in a cool, ventilated place, protect from sun, heat and moisture.Storage and transportation according to general chemical regulations.
| Name | 3-Methylxanthine |
| Synonyms | 3 MX CCRIS 5817 NSC 515466 AKOS NCG-0058 3-METHYLXANTHINE 3-Methylxanthine Xanthine, 3-methyl- 3-methyl-3H-purine-2,6-diol 3-METHYLXANTHINE CRYSTALLINE 3-methyl-7H-purine-2,6-dione 2,6-DIHYDROXY-3-METHYLPURINE 2,6-Dihydroxy-3-methylpurine 3-methyl-1H-purine-2,6(3H,7H)-dione 3-METHYLXANTHINE XANTHINE DERIVATIVE 3,7-Dihydro-3-methyl-1H-purine-2,6-dione 3,7-dihydro-3-methyl-1H-purine-2,6-dione 3-methyl-3,7-dihydro-1H-purine-2,6-dione 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl- |
| CAS | 1076-22-8 |
| EINECS | 214-058-1 |
| InChI | InChI=1/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2,11H,1H3,(H,9,12) |
| InChIKey | GMSNIKWWOQHZGF-UHFFFAOYSA-N |
| Molecular Formula | C6H6N4O2 |
| Molar Mass | 166.14 |
| Density | 1.4434 (rough estimate) |
| Melting Point | >300 °C (lit.) |
| Boling Point | 294.33°C (rough estimate) |
| Flash Point | 148.8°C |
| Water Solubility | Insoluble in water. |
| Solubility | DMSO (Slightly, Heated), Methanol (Slightly) |
| Vapor Presure | 2.23E-05mmHg at 25°C |
| Appearance | White to cream solid |
| Color | White to Pale Beige |
| BRN | 180944 |
| pKa | pK1:8.10;pK2:11.3 (25°C) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.6700 (estimate) |
| MDL | MFCD00005580 |
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