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Obeldesivir (GS-5245; ATV-006; SHEN26) is an orally bioactive antiviral agent and ester prodrug of GS-441524 under investigation for COVID-19. It inhibits the replication of SARS-CoV-2 and may be used for SARS-CoV-2 treatment.
| ln Vitro |
Obeldesivir (0.001-100 μM; 48 h; Vero E6 cells) prevents both the pathogenic and real SARS-CoV-2 variants from replicating. Obeldesivir's effectiveness in blocking the replication of Delta and Omicron variants is improved overall by >4 and >12 times, respectively, with EC50 values of 0.349 μM and 0.106 μM[1].
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| ln Vivo |
The pharmacokinetic profiles of beldesivir (5–25 mg/kg; po and iv) in Sprague Dawley rats are favorable, with a high oral bioavailability (F%) of 81.5% and a maximum blood concentration (Cmax) of 8.2 μM[1]. Obeldesivir (250–500 mg/kg; po; daily, 4 days; Ad5-hACE2 and hACE2 knock-in mice) has antiviral activity and prevents the replication of SARS-CoV-2 in mouse models[1]. K18-hACE2 mice are protected and lung damage is decreased by kg; po; daily, for 10 days[1]. In K18-hACE2 mice, obeldesivir (10–150 mg/kg; po; daily, for 3 days) decreases virus titers and lung damage brought on by Delta variant infection[1].
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| Animal Protocol |
Animal/Disease Models: Sprague Dawley rats[1]
Doses: 5 and 25 mg/kg Route of Administration: Oral administration (25 mg/kg) and intravenous (iv) injection (5 mg/kg) Experimental Results: 1.19 parameters iv (5 mg/kg) po (25 mg/kg) AUClast (μM·h) 5.6 22.8 T1/2 (h) 1.5 1.2 Tmax (h) 0.5 Cmax (μM) 8.7 8.2 F % 81.5 Animal/Disease Models: hACE2 knock- in and Ad5-hACE2 mice[1] Doses: 250 and 500 mg/kg Route of Administration: Oral administration; daily, for 4 days Experimental Results: Inhibited gRNA and sgRNA, which is Biomarkers of coronavirus replication. decreased the viral load and pathological damage of the lung. Animal/Disease Models: K18-hACE2 mice[1] Doses: 100 and 250 mg/kg Route of Administration: Oral administration; daily, for 10 days Experimental Results: decreased viral RNA and increased the survival rate of mice. decreased evidence of lung pathology and the production of inflammatory cytokines and chemokines in the lung tissues. Animal/Disease Models: K18-hACE2 mice[1] Doses: 10, 30, 80 and 150 mg/kg Route of Administration: Oral administration; daily, for 3 days Experimental Results: decreased viral load in a d |
| References |
| Molecular Formula |
C16H19N5O5
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|---|---|
| Molecular Weight |
361.35
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| Exact Mass |
361.138
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| CAS # |
2647441-36-7
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| PubChem CID |
162513664
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| Appearance |
White to off-white solid powder
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| LogP |
-0.3
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
26
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| Complexity |
595
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| Defined Atom Stereocenter Count |
4
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| SMILES |
C([C@]1(C2=CC=C3C(=NC=NN23)N)[C@@H]([C@H](O)[C@@H](COC(=O)C(C)C)O1)O)#N
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| InChi Key |
YIHPGVCWGSURHO-VSBTWAGUSA-N
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| InChi Code |
InChI=1S/C16H19N5O5/c1-8(2)15(24)25-5-10-12(22)13(23)16(6-17,26-10)11-4-3-9-14(18)19-7-20-21(9)11/h3-4,7-8,10,12-13,22-23H,5H2,1-2H3,(H2,18,19,20)/t10-,12-,13-,16+/m1/s1
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| Chemical Name |
[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl 2-methylpropanoate
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| Synonyms |
Obeldesivir GS-5245 ATV-006 SHEN-26GS5245 ATV006 SHEN26
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~250 mg/mL (~691.85 mM)
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| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7674 mL | 13.8370 mL | 27.6740 mL | |
| 5 mM | 0.5535 mL | 2.7674 mL | 5.5348 mL | |
| 10 mM | 0.2767 mL | 1.3837 mL | 2.7674 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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