 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C27H36CLN3O6 |
| Molecular Weight | 534.04 |
| Exact Mass | 533.229 |
| CAS # | 956483-03-7 |
| Related CAS # | Valnivudine;956483-02-6 |
| PubChem CID | 71587897 |
| Appearance | White to off-white solid powder |
| LogP | 5.066 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 37 |
| Complexity | 905 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | Cl.O1[C@H](C[C@@H]([C@H]1COC([C@H](C(C)C)N)=O)O)N1C(N=C2C(C=C(C3C=CC(=CC=3)CCCCC)O2)=C1)=O |
| InChi Key | CAHTYTZOAVUCIU-ZMQZINMSSA-N |
| InChi Code | InChI=1S/C27H35N3O6.ClH/c1-4-5-6-7-17-8-10-18(11-9-17)21-12-19-14-30(27(33)29-25(19)36-21)23-13-20(31)22(35-23)15-34-26(32)24(28)16(2)3;/h8-12,14,16,20,22-24,31H,4-7,13,15,28H2,1-3H3;1H/t20-,22+,23+,24-;/m0./s1 |
| Chemical Name | [(2R,3S,5R)-3-hydroxy-5-[2-oxo-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-3-yl]oxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride |
| 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, avoid exposure to moisture. |
| 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 | Intense fluorescence is observed in FV-100 at 340–380 nm illumination[1]. In HeLa cells, FV-100 (1 h) causes a distinct distribution[1]. |
| ln Vivo | In rats, FV-100 (50-500 mg/kg; po) does not appear to have any neuropharmacological effects or cause physiologically significant respiratory alterations[2]. |
| References |
[1]. Migliore M, et, al. FV-100: the most potent and selective anti-varicella zoster virus agent reported to date. Antivir Chem Chemother. 2010 Jan 5;20(3):107-15. [2]. Pentikis HS, et, al. Pharmacokinetics and safety of FV-100, a novel oral anti-herpes zoster nucleoside analogue, administered in single and multiple doses to healthy young adult and elderly adult volunteers. Antimicrob Agents Chemother. 2011 Jun;55(6):2847-54. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (187.25 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.68 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 25.0 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: ≥ 2.5 mg/mL (4.68 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 25.0 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: ≥ 2.5 mg/mL (4.68 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8725 mL | 9.3626 mL | 18.7252 mL | |
| 5 mM | 0.3745 mL | 1.8725 mL | 3.7450 mL | |
| 10 mM | 0.1873 mL | 0.9363 mL | 1.8725 mL |