Physicochemical Properties
| Molecular Formula | C91H119N13O16S |
| Molecular Weight | 1683.06 |
| 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 | SARS-CoV-2-IN-34 (0.1-100 μM; 30 min) inhibits PsV infection of SARS variants on Huh-7 and Caco-2 cells with IC50 values ranging from 0.54 to 10.23 μM. It also inhibits infection of pseudotyped SARS-CoV, MERS-CoV, HCoV-229E, HCoV-NL63, and bat SARSr-CoV WIV1 with IC50 values ranging from 1.30 to 12.02 μM[1]. With an IC50 value of 8.14 μM, SARS-CoV-2-IN-34 (0.1-100 μM; 30 min) suppresses the replication of authentic SARS-CoV 2 on the Caco-2 cell line. It also inhibits the infection of RD cells and Huh-7 cells with HCoV-OC43 and HCoV-229E, respectively, with IC50 values of 6.25 and 9.46 μM [1]. With IC50 values ranging from 1.47 to 5.44 μM, SARS-CoV-2-IN-34 (0.1-100 μM; 2-4 h) effectively suppresses cell-cell fusion caused by S protein of SARS-CoV-2, SARS-CoV, MERS CoV, HCoV-229E, and HCoV-NL63[1]. Early viral entrance of SARS-CoV-2 infection is inhibited by SARS-CoV-2-IN-34 (50 μM; 1 h)[1]. With a Kd value of 67, 61, and 277 nM, respectively, SARS-CoV-2-IN-34(0-2 μM) exhibits binding actions to S1, RBD, and HR[1]. |
| ln Vivo | SARS-CoV-2-IN-34 efficiently shields mice from infection when administered intraperitoneally at doses of 60 and 80 mg/kg, either 0.5 hours before or after the challenge with HCoV-OC43 and SARS-CoV-2 Delta[1]. Predicted to have potential oral bioavailability, SARS-CoV-2-IN-34 (50 mg/kg; ip and po once) exhibits good oral bioavailability and a better absorption rate under fed conditions. |
| Cell Assay |
Cell Cytotoxicity Assay[1] Cell Types: Huh-7, Caco-2 and RD cell lines Tested Concentrations: 0-1000 μM Incubation Duration: 12 hrs (hours) Experimental Results: demonstrated low on Huh-7, Caco-2 and RD cells with CC50s of >800, 692.7 and 274.2 μM, respectively. |
| Animal Protocol |
Animal/Disease Models: C57BL/6 mice with HCoV-OC43 infection[1] Doses: 80 mg/kg Route of Administration: Intranasal route; 80 mg/kg 0.5 h pre- or post-challenge with HCoV-OC43 Experimental Results: Dramatically diminished relative HCoV-OC43 RNA level of both prevention and treatment group . Animal/Disease Models: hACE2-transgenic C57BL/6 mice with SARS-CoV-2 Delta variant infection[1]. Doses: 60 mg/kg Route of Administration: Intranasal route; 60 mg/kg 0.5 h pre- or post-challenge with SARS- CoV-2 Delta Experimental Results: demonstrated prophylactic and therapeutic effect against SARS-CoV-2 Delta infection with intranasally administered. |
| References |
[1]. A novel cyclic γ-AApeptide-based long-acting pan-coronavirus fusion inhibitor with potential oral bioavailability by targeting two sites in spike protein. Cell Discov. 2022 Sep 8;8(1):88. |
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 | 0.5942 mL | 2.9708 mL | 5.9416 mL | |
| 5 mM | 0.1188 mL | 0.5942 mL | 1.1883 mL | |
| 10 mM | 0.0594 mL | 0.2971 mL | 0.5942 mL |