CAS Number6136-37-4
Synonymsmethyl xanthine; 6-Hydroxy-3-methyl-3,9-dihydro-2H-purin-2-one; 1-Methyl-3,7-dihydro-1H-purine-2,6-dione; methylxanthine; 3-Methyl-3,7-dihydro-1H-purine-2,6-dione; 1-Methylxanthine; 1-methyl-7H-xanthine; MFCD00005561; 1-Methyl Xanthine; 1-methyl-3,7-dihydropurine-2,6-dione; EINECS 228-108-5; 3-Methylxanthine; oxoguanine
Molecular FormulaC6H6N4O2
Molecular Weight166.137
Purity98.00%
Density1.5±0.1 g/cm3
Melting Point≥300 °C
AppearanceLight yellow solid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 6136-37-4 |
| Catalog No. | 2A-9032503 |
| Chinese Name | 3,7-二氢-1-甲基-1H-嘌呤-2,6-二酮 |
| Synonyms | methyl xanthine; 6-Hydroxy-3-methyl-3,9-dihydro-2H-purin-2-one; 1-Methyl-3,7-dihydro-1H-purine-2,6-dione; methylxanthine; 3-Methyl-3,7-dihydro-1H-purine-2,6-dione; 1-Methylxanthine; 1-methyl-7H-xanthine; MFCD00005561; 1-Methyl Xanthine; 1-methyl-3,7-dihydropurine-2,6-dione; EINECS 228-108-5; 3-Methylxanthine; oxoguanine |
| Molecular Formula | C6H6N4O2 |
| Molecular Weight | 166.137 |
| Purity | 98.00 |
| Density | 1.5±0.1 g/cm3 |
| Melting Point | ≥300 °C |
| Appearance | Light yellow solid |
| Storage Condition | -20°C Freezer |
| Application | 1-Methylxanthine is a caffeine derivative that is a metabolite of caffeine and theophylline (1,3-dimethylxanthine, TP) in human urine. 1-Methylxanthine enhances the radiosensitivity of tumor cells. |
| HTC | 2933990090 |
| SMILES | Cn1c(=O)[nH]c2nc[nH]c2c1=O |
| InChI | InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12) |
| InChI Key | MVOYJPOZRLFTCP-UHFFFAOYSA-N |
| MSDS | msds/32503_1_6136_37_4.pdf |
| Bioactivity | 1-Methylxanthine, a caffeine derivative, is an essential human urinary metabolite of caffeine and theophylline (1,3-dimethylxanthine, TP)[1]. 1-Methylxanthine enhances the radiosensitivity of tumor cells[2]. Related Catalog Research Areas >> Cancer Target Human Endogenous Metabolite In Vitro 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[2]. 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[1]. References [1]. Algharrawi KH, et al. Direct conversion of theophylline to 3-methylxanthine by metabolically engineered E. coli. Microb Cell Fact. 2015 Dec 21;14:203. [2]. Youn H, et al. 1-Methylxanthine enhances the radiosensitivity of tumor cells. Int J Radiat Biol. 2009 Feb;85(2):167-74. Chemical & Physical Properties Density 1.5±0.1 g/cm3 Melting Point ≥300 °C Molecular Formula C6H6N4O2 Molecular Weight 166.137 Exact Mass 166.049072 PSA 83.54000 LogP -1.52 Index of Refraction 1.627 InChIKey MVOYJPOZRLFTCP-UHFFFAOYSA-N SMILES Cn1c(=O)[nH]c2nc[nH]c2c1=O Storage condition -20°C Freezer |
| Use of | 1-Methylxanthine, a caffeine derivative, is an essential human urinary metabolite of caffeine and theophylline (1,3-dimethylxanthine, TP)[1]. 1-Methylxanthine enhances the radiosensitivity of tumor cells[2]. Properties Name 1-methyl-7H-xanthine Synonym More Synonyms 1-Methylxanthine Biological Activity Description 1-Methylxanthine, a caffeine derivative, is an essential human urinary metabolite of caffeine and theophylline (1,3-dimethylxanthine, TP)[1]. 1-Methylxanthine enhances the radiosensitivity of tumor cells[2]. Related Catalog Research Areas >> Cancer Human Endogenous Metabolite References [1]. Algharrawi KH, et al. Direct conversion of theophylline to 3-methylxanthine by metabolically engineered E. coli. Microb Cell Fact. 2015 Dec 21;14:203. [2]. Youn H, et al. 1-Methylxanthine enhances the radiosensitivity of tumor cells. Int J Radiat Biol. 2009 Feb;85(2):167-74. Chemical & Physical Properties Molecular Formula C6H6N4O2 Exact Mass 166.049072 PSA 83.54000 LogP -1.52 Index of Refraction 1.627 InChIKey MVOYJPOZRLFTCP-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 97.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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