CAS Number1076-22-8
Synonyms6-Hydroxy-3-methyl-3,9-dihydro-2H-purin-2-one; 3-METHYL XANTHINE; 3-METHYL-2,3,6,9-TETRAHYDRO-1H-PURINE-2,6-DIONE; 3,7-dihydro-3-methyl-1h-purine-6-dione; 3-methyl-7H-purine-2,6-dione; 2,6-Dihydroxy-3-methylpurine; 3-Methyl-3,7-dihydro-1H-purine-2,6-dione; 3,7-DIHYDRO-3-METHYL-1H-PURINE-2,6-DIONE; 3-Methyl-1H-purine-2,6(3H,7H)-dione; EINECS 214-058-1; MFCD00005580; 3-Methylxanthine; oxoguanine
Molecular FormulaC6H6N4O2
Molecular Weight166.14
Purity98%
Density1.5±0.1 g/cm3
Boiling Point322.4ºC at 760 mmHg
Melting Point>300 °C (lit.)
AppearanceWhite to cream solid
EINECS214-058-1
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1076-22-8 |
| Catalog No. | 2A-9004634 |
| Chinese Name | 3-甲基黄嘌呤 |
| Synonyms | 6-Hydroxy-3-methyl-3,9-dihydro-2H-purin-2-one; 3-METHYL XANTHINE; 3-METHYL-2,3,6,9-TETRAHYDRO-1H-PURINE-2,6-DIONE; 3,7-dihydro-3-methyl-1h-purine-6-dione; 3-methyl-7H-purine-2,6-dione; 2,6-Dihydroxy-3-methylpurine; 3-Methyl-3,7-dihydro-1H-purine-2,6-dione; 3,7-DIHYDRO-3-METHYL-1H-PURINE-2,6-DIONE; 3-Methyl-1H-purine-2,6(3H,7H)-dione; EINECS 214-058-1; MFCD00005580; 3-Methylxanthine; oxoguanine |
| Molecular Formula | C6H6N4O2 |
| Molecular Weight | 166.14 |
| Purity | 98 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 322.4ºC at 760 mmHg |
| Melting Point | >300 °C (lit.) |
| Appearance | White to cream solid |
| Water Solubility | Water solubility: insoluble |
| Storage Condition | Keep container sealed and stored in a cool, dry pl |
| Application | 3-Methylxanthine is a xanthine derivative that inhibits GMP, with an IC50 value of 920 μM measured in isolated guinea pig tracheal muscles. |
| EINECS | 214-058-1 |
| HTC | 2942000000 |
| PubChem ID | 24853339 |
| MDL Number | MFCD00005580 |
| SMILES | CN1C(=O)NC(=O)c2[nH]cnc12 |
| InChI | 1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) |
| InChI Key | GMSNIKWWOQHZGF-UHFFFAOYSA-N |
| Beilstein/REAXYS | 180944 |
| NACRES Code | NA.22 |
| UNSPSC | 12352005 |
| Hazard Symbols | Xn |
| Risk Codes | R22 |
| Safety Description | S22;S24/25 |
| MSDS | msds/4634_1_1076_22_8.pdf |
| Bioactivity | 3-Methylxanthine, a xanthine derivative, is a cyclic guanosine monophosphate (GMP) inhibitor, with an IC50 of 920 μM on guinea-pig isolated trachealis muscle. Related Catalog Research Areas >> Others Natural Products >> Saccharides and Glycosides Target GMP:920 μM (IC50) Human Endogenous Metabolite References [1]. Tanaka H, et al. Inhibition of cyclic GMP phosphodiesterase by xanthine derivatives relaxes guinea-pig trachealis smooth muscle. Clin Exp Pharmacol Physiol. 1991 Mar;18(3):163-8. [2]. Yamamoto K, et al. Neurotoxic convulsions induced by theophylline and its metabolites in mice. Biol Pharm Bull. 1996 Jun;19(6):869-72. Chemical & Physical Properties Density 1.5±0.1 g/cm3 Boiling Point 322.4ºC at 760 mmHg Melting Point >300 °C(lit.) Molecular Formula C6H6N4O2 Molecular Weight 166.137 Flash Point 148.8ºC Exact Mass 166.049072 PSA 83.54000 LogP -0.79 Vapour Pressure 2.23E-05mmHg at 25°C Index of Refraction 1.627 InChIKey GMSNIKWWOQHZGF-UHFFFAOYSA-N SMILES Cn1c(=O)[nH]c(=O)c2[nH]cnc21 Storage condition 2-8°C |
| Use of | 3-Methylxanthine, a xanthine derivative, is a cyclic guanosine monophosphate (GMP) inhibitor, with an IC50 of 920 μM on guinea-pig isolated trachealis muscle. Properties Name 3-methyl-7H-xanthine Synonym More Synonyms 3-Methylxanthine Biological Activity Description 3-Methylxanthine, a xanthine derivative, is a cyclic guanosine monophosphate (GMP) inhibitor, with an IC50 of 920 μM on guinea-pig isolated trachealis muscle. Related Catalog Research Areas >> Others Natural Products >> Saccharides and Glycosides GMP:920 μM (IC50) Human Endogenous Metabolite References [1]. Tanaka H, et al. Inhibition of cyclic GMP phosphodiesterase by xanthine derivatives relaxes guinea-pig trachealis smooth muscle. Clin Exp Pharmacol Physiol. 1991 Mar;18(3):163-8. [2]. Yamamoto K, et al. Neurotoxic convulsions induced by theophylline and its metabolites in mice. Biol Pharm Bull. 1996 Jun;19(6):869-72. Chemical & Physical Properties Molecular Formula C6H6N4O2 Exact Mass 166.049072 PSA 83.54000 LogP -0.79 Index of Refraction 1.627 InChIKey GMSNIKWWOQHZGF-UHFFFAOYSA-N |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified 3-Methylxanthine Modification number: 5 |
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