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2'-Deoxy-2'-fluorocytidine 10212-20-1

2'-Deoxy-2'-fluorocytidine 10212-20-1

CAS No.: 10212-20-1

2'-Deoxy-2'-fluorocytidine is a nucleoside analogue that is a potent inhibitor of Congo hemorrhagic fever virus (CCHFV)
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2'-Deoxy-2'-fluorocytidine is a nucleoside analogue that is a potent inhibitor of Congo hemorrhagic fever virus (CCHFV) replication. 2'-Deoxy-2'-fluorocytidine can synergize with T705 to enhance the antiviral efficacy of both compounds against CCHFV replication.

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
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.