| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
Viral RNA-dependent RNA polymerase (RdRp). Anti-virus agent 1 is a prodrug that is intracellularly metabolized to the active nucleoside triphosphate (NTP). This active metabolite acts as a competitive inhibitor and an RNA chain terminator. It is incorporated by the viral RdRp into the nascent RNA chain, leading to the termination of RNA synthesis. This effectively halts viral replication, reducing the viral load within the host. It exhibits broad-spectrum activity against multiple families of RNA viruses.
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| ln Vitro |
Antiviral agent 1 (compound 4i) has demonstrated efficacy against EBOV in HeLa cells (EC50 = 1845nM), human macrophages (EC50) with antiviral activity = 297nM, and HMVEC cells (TERT-immortalized human foreskin microvascular endothelial cells; ATCC-4025; EC50 = 367nM). In MT4 cells, which are human leukemia T cells, antiviral 1 has a CC50 of 21 μM [1].
Anti-virus agent 1 demonstrates potent antiviral activity against EBOV in various cell types. The EC₅0 values are 1,845 nM in HeLa cells, 367 nM in HMVEC cells, and 297 nM in human primary macrophages. It also shows activity in MT4 cells with a median cytotoxic concentration (CC₅0) of 21 uM, indicating a favorable in vitro selectivity index. These sub-microM EC₅0 values confirm that the prodrug effectively delivers the active nucleotide into various cell types. |
| ln Vivo |
Specific in vivo data for Anti-virus agent 1 was not found in the search results. However, as a prodrug of Remdesivir, it is designed to be effective in animal models. Published studies on related Remdesivir prodrugs show 100% protection against Ebola virus challenge in non-human primates. In mouse models of SARS-CoV-2 infection, these agents reduce viral titers in the lungs and prevent severe pneumonia.
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| Enzyme Assay |
A cell-free RNA polymerase assay is used to assess target engagement. The recombinant viral RdRp (e.g., EBOV) is incubated with an RNA template, NTPs, and varying concentrations of the active triphosphate form of Anti-virus agent 1. [alpha-32P]UTP is included for detection. The reaction is incubated for 30-60 min at 30degC. RNA products are precipitated, collected on filter membranes, and the incorporated radioactivity is counted.
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| Cell Assay |
HeLa cells are seeded in 96-well plates. After 24 hours, the medium is replaced with fresh medium containing serial dilutions of Anti-virus agent 1 (0.1-10,000 nM). Cells are infected with Ebola virus (MOI of 0.01) and incubated for 48 hours. Viral replication is quantified by RT-qPCR for viral RNA or by a 50% tissue culture infectious dose (TCID₅0) assay. Cytotoxicity is measured using a CellTiter-Glo assay on parallel plates to calculate the EC₅0 and CC₅0.
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| Animal Protocol |
In vivo efficacy is tested in a mouse-adapted Ebola virus model. Six-week-old female BALB/c mice are challenged intraperitoneally with 1,000 × LD₅0 of mouse-adapted EBOV. Mice are treated with Anti-virus agent 1 (e.g., 10-25 mg/kg) via intraperitoneal (IP) injection, typically beginning 1 hour post-infection and continuing once daily for 7-10 days. Mice are monitored daily for survival and weight loss.
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| ADME/Pharmacokinetics |
As a prodrug, Anti-virus agent 1 is rapidly converted to the nucleoside GS-5734. It is a small molecule (MW: 560.50) designed for oral or parenteral administration, with high permeability and sufficient aqueous solubility. The active triphosphate accumulates in cells, giving it a long intracellular half-life relative to the plasma half-life of the parent nucleoside. It is soluble in DMSO (100 mg/mL).
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| Toxicity/Toxicokinetics |
Cytotoxicity data is available from in vitro studies. In MT4 cells (human leukemia T-cells), the median cytotoxic concentration (CC₅0) of Anti-virus agent 1 is >21 uM, indicating a favorable in vitro selectivity index. In vivo, the toxicity profile is expected to mirror that of Remdesivir, which includes potential for reversible elevated liver enzymes and gastrointestinal distress at high doses.
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| References |
[1]. Dustin Siegel , et al. Discovery and Synthesis of a Phosphoramidate Prodrug of a Pyrrolo[2,1-f][triazin-4-amino] Adenine C-Nucleoside (GS-5734) for the Treatment of Ebola and Emerging Viruses. J Med Chem. 2017 Mar 9;60(5):1648-1661.
[2]. Michael O' Neil Hanrahan Clarke, et al.Methods for treating arenaviridae and coronaviridae virus infections. US20170071964A1. |
| Additional Infomation |
Anti-virus agent 1 is a research-grade compound and is not a marketed drug. It was developed as part of the effort to improve the delivery and efficacy of Remdesivir. It is used to study the structure-activity relationships (SAR) of Remdesivir prodrugs and is a valuable reference standard for analytical studies of Remdesivir-related substances.
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| Molecular Formula |
C24H29N6O8P
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|---|---|
| Molecular Weight |
560.496226072311
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| Exact Mass |
560.178
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| CAS # |
1911578-83-0
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| PubChem CID |
56832850
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| Appearance |
White to off-white solid powder
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| LogP |
0.7
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
13
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
39
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| Complexity |
960
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| Defined Atom Stereocenter Count |
5
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| SMILES |
C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4
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| InChi Key |
QXBLGVOITWEDBZ-XBIBZECMSA-N
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| InChi Code |
InChI=1S/C24H29N6O8P/c1-14(2)36-23(33)15(3)29-39(34,38-16-7-5-4-6-8-16)35-11-18-20(31)21(32)24(12-25,37-18)19-10-9-17-22(26)27-13-28-30(17)19/h4-10,13-15,18,20-21,31-32H,11H2,1-3H3,(H,29,34)(H2,26,27,28)/t15-,18+,20+,21+,24-,39?/m0/s1
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| Chemical Name |
propan-2-yl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
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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 |
| 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 : ~200 mg/mL (~356.82 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (8.92 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 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: ≥ 5 mg/mL (8.92 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 50.0 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. View More
Solubility in Formulation 3: ≥ 5 mg/mL (8.92 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7841 mL | 8.9206 mL | 17.8412 mL | |
| 5 mM | 0.3568 mL | 1.7841 mL | 3.5682 mL | |
| 10 mM | 0.1784 mL | 0.8921 mL | 1.7841 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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