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 |