| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Targets |
SARS-CoV-2 nsp13-IN-1 targets the non-structural protein 13 (nsp13) of SARS-CoV-2, which is a helicase essential for viral RNA replication. Nsp13 unwinds double-stranded RNA and DNA during viral replication, and its ATPase activity is required for this function. The compound selectively inhibits nsp13 ssDNA+ ATPase with an IC50 of 6 μM, but does not inhibit ssDNA-ATPase. By inhibiting this essential viral enzyme, the compound blocks viral replication.
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| ln Vitro |
In vitro, SARS-CoV-2 nsp13-IN-1 selectively inhibits nsp13 ssDNA+ ATPase with an IC50 of 6 μM, but does not inhibit ssDNA-ATPase. It is a potent inhibitor of nsp13 (non-structural protein 13). The compound's selectivity for the ssDNA+ ATPase activity makes it a valuable tool for studying the mechanism of nsp13 helicase function.
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| ln Vivo |
Specific in vivo data for SARS-CoV-2 nsp13-IN-1 are limited. The compound is used as a research tool to study SARS-CoV-2 replication. As a helicase inhibitor, it has the potential for antiviral activity in vivo, but specific efficacy studies in animal models have not been extensively reported. The compound is primarily used for in vitro mechanistic studies.
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| Enzyme Assay |
In vitro enzyme assays for SARS-CoV-2 nsp13-IN-1 measure its inhibition of nsp13 ATPase activity. Purified nsp13 protein is incubated with varying concentrations of the compound and ATP. ATPase activity is measured by monitoring the release of inorganic phosphate or by using a coupled enzyme assay. The IC50 value of 6 μM is determined from dose-response curves.
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| Cell Assay |
Cell-based assays for SARS-CoV-2 nsp13-IN-1 are conducted in virus-infected cells. Cells are infected with SARS-CoV-2 and treated with the compound at various concentrations. Viral replication is measured by plaque reduction assays, qRT-PCR, or immunofluorescence. These assays characterize the compound's antiviral activity.
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| Animal Protocol |
In vivo animal experiments with SARS-CoV-2 nsp13-IN-1 have not been extensively documented. Typical study designs would involve administration of the compound in mouse models of SARS-CoV-2 infection. Dosing regimens and routes of administration would need to be optimized. The compound is for research use only.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of SARS-CoV-2 nsp13-IN-1 are not extensively characterized. The compound has a molecular formula of C27H20N4O2 and a molecular weight of 432.47. Solubility: DMSO: 100 mg/mL (231.23 mM; Need ultrasonic). Storage: powder at -20°C for 3 years; in solvent at -80°C for 1 year.
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| Toxicity/Toxicokinetics |
Safety and toxicology data for SARS-CoV-2 nsp13-IN-1 are limited. The compound is for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling the compound. No specific toxicity data are available.
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| References | |
| Additional Infomation |
SARS-CoV-2 nsp13-IN-1 has CAS number 1005304-44-8, molecular formula C27H20N4O2, and molecular weight 432.47. Synonyms: compound C1. It is a potent nsp13 inhibitor that selectively inhibits nsp13 ssDNA+ ATPase with IC50 = 6 μM. It can be used to study COVID-19. Not for human use; for research purposes only.
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| Molecular Formula |
C27H20N4O2
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|---|---|
| Molecular Weight |
432.473305702209
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| Exact Mass |
432.158
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| CAS # |
1005304-44-8
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| PubChem CID |
18569226
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| Appearance |
White to off-white solid powder
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| LogP |
4.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
33
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| Complexity |
730
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C2=CC=CN=C2N=C(C)N1C1C=CC(=CC=1)NC(C1C=CC(=CC=1)C1C=CC=CC=1)=O
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| InChi Key |
YQMFYRIEVDLXHD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C27H20N4O2/c1-18-29-25-24(8-5-17-28-25)27(33)31(18)23-15-13-22(14-16-23)30-26(32)21-11-9-20(10-12-21)19-6-3-2-4-7-19/h2-17H,1H3,(H,30,32)
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| Chemical Name |
N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-phenylbenzamide
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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 : ~41.67 mg/mL (~96.35 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (4.81 mM) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3123 mL | 11.5615 mL | 23.1230 mL | |
| 5 mM | 0.4625 mL | 2.3123 mL | 4.6246 mL | |
| 10 mM | 0.2312 mL | 1.1561 mL | 2.3123 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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