Physicochemical Properties
| Molecular Formula | C18H20CL3N5O5 |
| Exact Mass | 491.053 |
| CAS # | 2242788-69-6 |
| PubChem CID | 155169689 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 31 |
| Complexity | 611 |
| Defined Atom Stereocenter Count | 5 |
| SMILES | ClC1=C(C=CC(=C1)[C@](C)([C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NOC)=NC=NC2=3)O1)O)O)O)Cl.Cl |
| InChi Key | QMVIGLXONQUBTJ-LBQFNWRTSA-N |
| InChi Code | InChI=1S/C18H19Cl2N5O5.ClH/c1-18(28,8-3-4-9(19)10(20)5-8)14-12(26)13(27)17(30-14)25-7-23-11-15(24-29-2)21-6-22-16(11)25;/h3-7,12-14,17,26-28H,1-2H3,(H,21,22,24);1H/t12-,13+,14-,17+,18+;/m0./s1 |
| Chemical Name | (2S,3S,4R,5R)-2-[(1R)-1-(3,4-dichlorophenyl)-1-hydroxyethyl]-5-[6-(methoxyamino)purin-9-yl]oxolane-3,4-diol;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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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
| References | [1]. Liang Lu, et al. Brm targeting compounds and associated methods of use. Patent WO2023287787A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~130 mg/mL (~263.83 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.25 mg/mL (6.60 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 32.5 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 3.25 mg/mL (6.60 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 32.5 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.) |