Name | 1-Methylxanthine |
Synonyms | CCRIS 5816 METHYLXANTHINES 1-methyl-xanthin 1-Methylxanthine 1-METHYLXANTHINE Xanthine, 1-methyl- 2,6-DIHYDROXY-1-METHYLPURINE 3,7-dihydro-1-methyl-1H-purine-2,6-dione 1-Methyl-3,7-dihydro-1H-purine-2,6-dione 1-methyl-3,7-dihydro-1H-purine-2,6-dione 3,7-Dihydro-1-methyl-1H-purine-2,6-dione 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl- |
CAS | 6136-37-4 |
EINECS | 228-108-5 |
InChI | InChI=1/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12) |
InChIKey | MVOYJPOZRLFTCP-UHFFFAOYSA-N |
Molecular Formula | C6H6N4O2 |
Molar Mass | 166.14 |
Density | 1.539±0.06 g/cm3(Predicted) |
Melting Point | ≥300°C |
Solubility | Aqueous Base (Slightly), DMSO (Slightly) |
Appearance | Solid |
Color | Pale Yellow to Dark Yellow |
Maximum wavelength(λmax) | ['270nm(H2O)(lit.)'] |
BRN | 171507 |
pKa | pK1:7.70;pK2:12.0 (25°C) |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.626 |
MDL | MFCD00005561 |
In vitro study | 1-Methylxanthine (1-MTX; 3 mM; for 30 min) increases the radiation-induced clonogenic and apoptotic cell (RKO human colorectal cancer cells carrying wild type protein 53 kDa (p53)) death. 1-Methylxanthine (1MX) exhibits similar activities to other naturally occurring methylxanthines. Unlike caffeine, TP, and theobromine, 3-Methylxanthine (3MX) and 1-methylxanthine do not occur naturally at high levels in plants. |
Hazard Symbols | T+ - Very toxic |
Risk Codes | 26/27/28 - Very toxic by inhalation, in contact with skin and if swallowed. |
Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
WGK Germany | 3 |
RTECS | ZD8575000 |
HS Code | 29335990 |
Reference Show more | 1. [IF=4.072] Meng-zhen Zhou et al."Discovery and Biochemical Characterization of N-methyltransferase Genes Involved in Purine Alkaloid Biosynthetic Pathway of Camellia gymnogyna Hung T.Chang (Theaceae) from Dayao Mountain."Phytochemistry. 2022 Jul;199:113167 |