Physicochemical Properties
| Molecular Formula | C11H15N5O5 |
| Molecular Weight | 297.2673 |
| Exact Mass | 297.107 |
| CAS # | 2140-65-0 |
| PubChem CID | 96373 |
| Appearance | White to off-white solid powder |
| Density | 2.0±0.1 g/cm3 |
| Boiling Point | 737.4±70.0 °C at 760 mmHg |
| Flash Point | 399.7±35.7 °C |
| Vapour Pressure | 0.0±2.5 mmHg at 25°C |
| Index of Refraction | 1.860 |
| LogP | -3.66 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 21 |
| Complexity | 474 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | CN1C(=O)C2=C(N=C1N)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| InChi Key | UTAIYTHAJQNQDW-KQYNXXCUSA-N |
| InChi Code | InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1 |
| Chemical Name | 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ADME/Pharmacokinetics |
1. Excretion: 1-Methylguanosine is present in human urine and is excreted via the urinary system. Its concentration in urine can be quantitatively determined by high-performance liquid chromatography (HPLC) [1] |
| References |
[1]. Quantitation of urinary nucleosides by high-performance liquid chromatography. J Chromatogr A. 1997 Feb 28;763(1-2):193-7. |
| Additional Infomation |
1-methylguanosine is guanosine substituted with a methyl group at position N-1. It has a role as a metabolite. 1-Methylguanosine has been reported in Schizosaccharomyces pombe, Aeromonas veronii, and Caenorhabditis elegans with data available. 1. 1-Methylguanosine is identified as a nucleoside that naturally exists in human urine [1] 2. HPLC quantitation protocol for urinary 1-Methylguanosine: Urine samples are collected and centrifuged to remove particulate matter. The supernatant is obtained and subjected to pretreatment (no additional derivatization step is required). The pretreated sample is injected into a reversed-phase HPLC system equipped with a suitable chromatographic column. The separation is achieved using a gradient elution with a mobile phase composed of aqueous buffer and organic solvent. Detection is performed by ultraviolet absorption spectroscopy at a specific wavelength. Quantitative analysis is carried out using the external standard method, where the peak area of 1-Methylguanosine in samples is compared with that of standard solutions to calculate the concentration [1] |
Solubility Data
| Solubility (In Vitro) | DMSO : ~125 mg/mL (~420.49 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.00 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (7.00 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (7.00 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3639 mL | 16.8197 mL | 33.6395 mL | |
| 5 mM | 0.6728 mL | 3.3639 mL | 6.7279 mL | |
| 10 mM | 0.3364 mL | 1.6820 mL | 3.3639 mL |