HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Amino-6-mercaptopurine-13C2,15N
Tioguanine-13C2,15N · Thioguanine-13C2,15N · 6-Thioguanine-13C2,15N · Mercaptopurine Impurity 7 · 2-Amino-6-mercaptopurine-13C2,1?N · 2-Amino-6-mercaptopurine-13C2,15N · 2-AMino-9H-purine-6-thiol-13C2,15N · [13C2,15N]-2-Amino-6-mercaptopurine
Identifiers & Physical Properties
| CAS No. | 1330266-29-9 |
|---|---|
| Molecular formula | C5H5N5S |
| Average molar mass | 170.17 g/mol |
| Monoisotopic mass | 170.03031092 g/mol |
| SMILES | Nc1nc(=S)[13c]2[15nH]cn[13c]2[nH]1 |
| InChIKey | WYWHKKSPHMUBEB-QZTPXDJLSA-N |
| PubChem CID | 71313288 |
Chemical & Physical Properties
| XLogP | -0.1 |
|---|---|
| Topological polar surface area | 111 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 225 |
| Melting point | >300°C |
| Density | 2.084±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| Storage conditions | -20°C Freezer, Under Inert Atmosphere |
| Solubility | Aqueous Base (Slightly), DMSO (Slightly), Water (Very Slightly) |
| Physical state | Solid |
| Color | Off-White to Beige |
Applications & Uses
Uses
A labelled Tioguanine. The compound produced dose-dependent inhibition of stimulated expression of TRAIL protein.