Physicochemical Properties
| Molecular Formula | C10H11CLFN5O3 |
| Molecular Weight | 303.677443742752 |
| Exact Mass | 303.053 |
| CAS # | 2734853-80-4 |
| PubChem CID | 162354766 |
| Appearance | Typically exists as White to off-white solids at room temperature |
| LogP | 0.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 20 |
| Complexity | 370 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)F)N |
| InChi Key | HSCKXTNMVCTWGY-UUOKFMHZSA-N |
| InChi Code | InChI=1S/C10H11ClFN5O3/c11-1-3-5(18)6(19)9(20-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1H2,(H2,13,15,16)/t3-,5-,6-,9-/m1/s1 |
| Chemical Name | (2R,3R,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol |
| Synonyms | Fludarabine-Cl; 2734853-80-4; Fludarabine-Cl?; SCHEMBL24981041; MS-24385; |
| 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
| Targets | ADAR1/RNA adenosine deaminase 1 |
| ln Vitro | Fludarabine-Cl has potent inhibitory effects on RNA adenosine deaminase 1 (ADAR1), and can be used to prevent and/or treat cancer or tumor related diseases caused by abnormal activity of this enzyme, especially prostate cancer, leukemia, breast cancer, multiple myeloma, lung cancer, stomach cancer, ovarian cancer, colon cancer, liver cancer, pancreatic cancer. |
| References | Polysubstituted purine compound and preparation method and application thereof. CN113549076A. |
Solubility Data
| Solubility (In Vitro) | H2O : ~5 mg/mL (~16.46 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2 mg/mL (6.59 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 | 3.2929 mL | 16.4647 mL | 32.9294 mL | |
| 5 mM | 0.6586 mL | 3.2929 mL | 6.5859 mL | |
| 10 mM | 0.3293 mL | 1.6465 mL | 3.2929 mL |