Physicochemical Properties
| Molecular Formula | C22H24CLF3N4O4 |
| Molecular Weight | 500.90 |
| Appearance | Typically exists as solid at room temperature |
| 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 | In Huh7.5 cells, HCV-IN-38 (compound 80) (0-20 μM; 72 hours) demonstrates low cytotoxicity with CC50=6.47 μM and strong anti-HCV activity with EC50=15 nM[1]. The permeability of HCV-IN- 38 (2 μM; 2 hours) is moderate (0.5 < Papp < 2.5 (×10-6 cm/s))[1]. |
| ln Vivo | The plasma stability of HCV-IN-38 (2 μM; 4 hours) is respectable (t1/2, rat = 16.9 h and t1/2, human = 19.9 h)[1]. With an oral total exposure (AUC) of 1502 ng h/mL, medium in vivo clearance (38.3 mL/min/kg), Cmax of 452 ng/mL, and moderate bioavailability of 34%, HCV-IN-38 (2 mg/kg for ip, 10 mg/kg for po, single) has satisfactory PK properties[1]. With LD50 values more than 150 mg/kg, HCV-IN-38 (50-200 mg/kg; ip, single) has minimal safety profiles[1]. Sprague-Dawley rats' pharmacokinetic parameters for HCV-IN-38[1]. IV (2 mg/kg) PO (10 mg/kg) AUC0-last (ng·h/mL) 889 ± 179 1502 ± 342 AUC0-inf (ng·h/mL) 898 ± 184 1525 ± 360 MRT0-last (h) 1.36 ± 0.182 2.95 ± 0.276 MRT0-inf (h) 1.45 ± 0.211 3.10 ± 0.290 Cmax (ng/mL) 452 ± 149 T1/2 (h) 1.24 ± 0.101 1.9 0 ± 0.492 Tlast (h) 8.00 12.0 Tmax (h) 1.00 Vdss (L/kg) 3.26 ± 0.426 Cl (mL/min/kg) 38.3 ± 8.89 F (%) 34 |
| Cell Assay |
Cell Cytotoxicity Assay Cell Types: Huh7.5 cells[1] Tested Concentrations: 0-20 μM Incubation Duration: 72 hrs (hours) Experimental Results: demonstrated low cytotoxicity with CC50=6.47 μM. |
| Animal Protocol |
Animal/Disease Models: SD rats (180-220 g, n =3)[1] Doses: 2 or 10 mg/kg Route of Administration: iv and po, single (pharmacokinetic/PK Analysis) Experimental Results: demonstrated satisfying PK properties with an oral total exposure (AUC) of 1502 ng h/mL, medium in vivo clearance (38.3 mL/min/kg), Cmax of 452 ng/mL, and moderate bioavailability of 34%. Animal/Disease Models: Kunming mice (n=6)[1] Doses: 50, 100, 150, and 200 mg/kg Route of Administration: ip, single Experimental Results: Demonstrated modest safety profiles with LD50 values higher than 150 mg/kg. |
| References |
[1]. Synthesis and structure-activity relationship study of new biaryl amide derivatives and their inhibitory effects against hepatitis C virus. Eur J Med Chem. 2022;228:114033. |
Solubility Data
| Solubility (In Vitro) | May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples |
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9964 mL | 9.9820 mL | 19.9641 mL | |
| 5 mM | 0.3993 mL | 1.9964 mL | 3.9928 mL | |
| 10 mM | 0.1996 mL | 0.9982 mL | 1.9964 mL |