Physicochemical Properties
| Molecular Formula | C9H12FN3O4 |
| Molecular Weight | 245.21 |
| Exact Mass | 245.081 |
| CAS # | 10212-20-1 |
| PubChem CID | 101507 |
| Appearance | White to yellow solid powder |
| Density | 1.8±0.1 g/cm3 |
| Boiling Point | 500.1±60.0 °C at 760 mmHg |
| Melting Point | 167ºC |
| Flash Point | 256.2±32.9 °C |
| Vapour Pressure | 0.0±2.9 mmHg at 25°C |
| Index of Refraction | 1.697 |
| LogP | -1.26 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 17 |
| Complexity | 386 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F |
| InChi Key | NVZFZMCNALTPBY-XVFCMESISA-N |
| InChi Code | InChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1 |
| Chemical Name | 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-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
| ln Vitro | The antiviral properties of 2'-Deoxy-2'-fluorocytidine have been demonstrated by 50% effective concentrations (EC50) against CCHFV and CCHFV/ZsG in Huh7 cells, respectively, of 61 nM and 31 nM. Furthermore, in Huh7 cells, it demonstrates a 50% cytotoxicity concentration (CC50) of >50.0 μM[1]. |
| References |
[1]. Identification of 2'-deoxy-2'-fluorocytidine as a potent inhibitor of Crimean-Congo hemorrhagic fever virus replication using a recombinant fluorescent reporter virus. Antiviral Res. 2017 Nov;147:91-99. |
| Additional Infomation | 2'-Deoxy-2'-fluorocytidine is a hydroxypyrimidine. |
Solubility Data
| Solubility (In Vitro) | H2O : 5 mg/mL (20.39 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (407.81 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 | 4.0781 mL | 20.3907 mL | 40.7814 mL | |
| 5 mM | 0.8156 mL | 4.0781 mL | 8.1563 mL | |
| 10 mM | 0.4078 mL | 2.0391 mL | 4.0781 mL |