Physicochemical Properties
| Molecular Formula | C9H13N3O4 |
| Molecular Weight | 227.22 |
| Exact Mass | 227.091 |
| Elemental Analysis | C, 47.57; H, 5.77; N, 18.49; O, 28.16 |
| CAS # | 40093-94-5 |
| PubChem CID | 159354 |
| Appearance | White to off-white solid powder |
| Density | 1.73 g/cm3 |
| Boiling Point | 497.6ºC at 760 mmHg |
| Flash Point | 254.8ºC |
| Index of Refraction | 1.719 |
| LogP | -1.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 16 |
| Complexity | 355 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | O=C1N=C(N)C=CN1[C@@H]2O[C@@H](CO)[C@H](O)C2 |
| InChi Key | CKTSBUTUHBMZGZ-CHKWXVPMSA-N |
| InChi Code | InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1 |
| Chemical Name | 4-amino-1-((2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one |
| Synonyms | Torcitabine; L-dC; Torcitabine; L-Deoxycytidine; NV-02C; NV 02C; NV02C; |
| 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 |
| 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 | First strand DNA synthesis is more inhibited by toracitbine (2'-Deoxy-L-cytidine) than second strand DNA synthesis. |
| References |
[1]. Drugs in development for hepatitis B. Drugs. 2005;65(11):1451‐1460. [2]. Keam SJ. Telbivudine. Drugs. 2007;67(13):1917‐1929. |
| Additional Infomation | Torcitabine is a nucleoside inhibitor with activity against hepatitis B virus. Torcitabine is modified in vivo to its triphosphate form and acts as a competitive inhibitor of viral DNA polymerase. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~250 mg/mL (~1100.26 mM ) H2O : ~250 mg/mL (~1100.26 mM ) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (9.15 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (9.15 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (9.15 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 10% DMSO+40% PEG300+5% Tween-80+45% Saline: ≥ 2.08 mg/mL (9.15 mM) (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.4010 mL | 22.0051 mL | 44.0102 mL | |
| 5 mM | 0.8802 mL | 4.4010 mL | 8.8020 mL | |
| 10 mM | 0.4401 mL | 2.2005 mL | 4.4010 mL |