Physicochemical Properties
| Molecular Formula | C19H17CL2FN2O |
| Molecular Weight | 379.26 |
| Exact Mass | 378.07 |
| CAS # | 64009-84-3 |
| PubChem CID | 327197 |
| Appearance | Colorless to light yellow oil |
| Density | 1.27g/cm3 |
| Boiling Point | 548.1ºC at 760mmHg |
| Flash Point | 285.3ºC |
| Index of Refraction | 1.589 |
| LogP | 5.581 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 25 |
| Complexity | 396 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | FC1=CC=C(OCCC(C2=CC=C(Cl)C=C2Cl)CN2C=CN=C2)C=C1 |
| InChi Key | FHKXBOJPHOEMQO-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C19H17Cl2FN2O/c20-15-1-6-18(19(21)11-15)14(12-24-9-8-23-13-24)7-10-25-17-4-2-16(22)3-5-17/h1-6,8-9,11,13-14H,7,10,12H2 |
| Chemical Name | 1-[2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butyl]imidazole |
| 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 | IMB-301 is able to hinder hA3G's degradation by Vif, which leads to hA3G-dependent anti-HIV activity, and hence enhance hA3G's virion encapsidation. IMB-301 attaches itself to hA3G, increases hA3G expression when Vif is present, and hA3G-dependently prevents HIV-1 replication[1]. |
| References | [1]. Ma L, et al. Identification of small molecule compounds targeting the interaction of HIV-1 Vif and human APOBEC3G by virtual screening and biological evaluation. Sci Rep. 2018;8(1):8067. Published 2018 May 23. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (263.67 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.59 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 (6.59 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 (6.59 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 | 2.6367 mL | 13.1836 mL | 26.3671 mL | |
| 5 mM | 0.5273 mL | 2.6367 mL | 5.2734 mL | |
| 10 mM | 0.2637 mL | 1.3184 mL | 2.6367 mL |