Physicochemical Properties
| Molecular Formula | C10H12N5NA2O7P |
| Molecular Weight | 391.18 |
| Exact Mass | 391.026 |
| CAS # | 33430-61-4 |
| Related CAS # | 2'-Deoxyguanosine 5'-monophosphate-13C10,15N5 disodium |
| PubChem CID | 135742695 |
| Appearance | White to off-white solid powder |
| Density | 2.32g/cm3 |
| Boiling Point | 844.2ºC at 760mmHg |
| Melting Point | >245°C (dec.) |
| Flash Point | 464.4ºC |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 25 |
| Complexity | 556 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)([O-])[O-])O.[Na+].[Na+] |
| InChi Key | CTPAMSRBXKGZCJ-FVALZTRZSA-L |
| InChi Code | InChI=1S/C10H14N5O7P.2Na/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20;;/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17);;/q;2*+1/p-2/t4-,5+,6+;;/m0../s1 |
| Chemical Name | disodium;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphate |
| 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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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
| References |
[1]. The photosensitizing activity of lumazine using 2'-deoxyguanosine 5'-monophosphate and HeLa cells as targets. Photochem Photobiol Sci. 2009 Nov;8(11):1539-49. |
Solubility Data
| Solubility (In Vitro) |
H2O :~125 mg/mL (~319.55 mM) DMSO :< 1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (255.64 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5564 mL | 12.7818 mL | 25.5637 mL | |
| 5 mM | 0.5113 mL | 2.5564 mL | 5.1127 mL | |
| 10 mM | 0.2556 mL | 1.2782 mL | 2.5564 mL |