Physicochemical Properties
| CAS # | 2935937-67-8 |
| 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
| Targets | Mouse hepatitis virus (MHV)[1] |
| ln Vitro | ATV041 has EC50 values of 1.406 µM, 7.34 µM, and 3.777 µM for CCoV, FIPV, and TGEV, respectively, indicating its inhibitory effect[1]. |
| ln Vivo | The oral drug ATV041 (200 mg/kg) is promptly and broadly disseminated in the tissues of the liver, kidney, and lung[1]. In the liver and lungs, ATV041 (10, 50, and 200 mg/kg; oral; single dosage) suppresses viral replication in a dose-dependent manner. TNF-α, IL-1β, IL-6, IFN-γ, and CXCL10 expression are all downregulated by ATV041[1], which also improves tissue damage. Pharmacokinetic (PK) parameters of GS-441524 and ibuprofen in SD rats[1] (GS-441524 and ibuprofen are produced by hydrolyzing ATV041) Analytes Route Dose (mg/kg) T1/2 (h) Tmax (h) Cmax (µM/L) AUC0-∞ (h·µM/L) MRT0-∞ (h) F (%) GS-441524 po 25.0 4.98±3.57 0.67±0.29 7.75±1.58 22.6±2.34 3.16±1.21 60.31 ±0.06 GS-441524 iv 5.0 2.81±3.28 0.08±0.00 5.67±0.57 7.51±0.85 1.28±0.139 - Ibuprofen po 25.0 2.63±1.78 0.67±0.29 80.2±12 263±37 3.35 ±0.925 78.42±0.11 Ibuprofen iv 5.0 1.58±0.82 0.03±0.00 41.8±3.12 67.1±4.39 1.57±0.294 |
| Animal Protocol |
Animal/Disease Models: SD rats[1]. Doses: 5 or 25 mg/kg. Route of Administration: po (oral gavage) or intravenous (iv) injection; single dose. Experimental Results: demonstrated an oral activity and efficacy. Animal/Disease Models: BALB/c mice[1]. Doses: 10, 50 and 200 mg/kg. Route of Administration: Oral gavage; single dose. Experimental Results: Improved tissue distribution and viral load, tissue damage, virus-induced inflammation decreased. |
| References | [1]. Zhou Q, et al. Nonsteroidal anti-inflammatory drugs (NSAIDs) and nucleotide analog GS-441524 conjugates with potent in vivo efficacy against coronaviruses. Eur J Med Chem. 2023 Jan 10;249:115113. |
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.) |