| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Flavivirus RNA dependent RNA polymerases (RdRp)[1] SARS-CoV-2 RdRps>[2]
HeE1-2Tyr targets the RNA-dependent RNA polymerase (RdRp) of flaviviruses, including West Nile virus, Dengue virus, and SARS-CoV-2. RdRp is an essential enzyme for viral RNA replication, making it a key target for antiviral drug development. As a non-nucleoside inhibitor, HeE1-2Tyr binds to the RdRp and inhibits its polymerase activity. This prevents viral RNA synthesis and blocks viral replication. HeE1-2Tyr targets the viral NS4B protein. |
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| ln Vitro |
HeE1-2Tyr exhibits antiviral action; it can suppress all four Dengue virus (DENV) serotypes, with IC50 values ranging from 6.8 to 15 µM, and a Ugandan strain of the West Nile virus with an IC50 of 2.1 µM. HeE1-2Tyr has cytotoxicity of about 115 µM when compared to Vero E6 cells[1]. Furthermore, HeE1-2Tyr suppresses clinical strains of yellow fever virus with IC50 values ranging from 3.9 to 12 µM during infection of human HEK 293 cells (CC50 = 50 µM[1]). HeE1-2Tyr totally prevents Feline Coronavirus (FIPV) and SARS-CoV-2 from replicating[2].
In vitro, HeE1-2Tyr significantly inhibits the activity of West Nile, Dengue, and SARS-CoV-2 RdRps with an IC50 of 27.6 µM. It inhibits an Ugandan strain of West Nile virus with an IC50 of 2.1 µM and all four Dengue virus serotypes with IC50s ranging from 6.8 to 15 µM. These in vitro activities support its broad-spectrum antiviral potential against flaviviruses and related viruses. |
| ln Vivo |
In vivo data for HeE1-2Tyr is limited in publicly available sources. As a potent inhibitor of flavivirus RdRp with broad-spectrum antiviral activity, the compound has potential applications in animal models of West Nile virus, Dengue virus, and SARS-CoV-2 infections. However, specific published in vivo efficacy studies are not widely reported. HeE1-2Tyr is primarily used as a research tool for studying viral RNA replication and developing antiviral therapies.
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| Enzyme Assay |
The in vitro RdRp inhibition assay for HeE1-2Tyr uses recombinant RdRp enzymes from West Nile virus, Dengue virus, and SARS-CoV-2. Enzyme activity is measured using RNA substrates and nucleotide incorporation assays, and IC50 values are calculated from dose-response curves. Antiviral activity is assessed in virus-infected cells, with viral replication measured by plaque reduction assay, qPCR, or cytopathic effect.
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| Cell Assay |
Cellular assays for HeE1-2Tyr are conducted in virus-infected cell lines. Cells are infected with West Nile virus, Dengue virus, or SARS-CoV-2 and treated with varying concentrations of HeE1-2Tyr. Viral replication is measured by plaque reduction assay, qPCR, or cytopathic effect. IC50 values are calculated from dose-response curves. Cell viability is assessed to confirm that antiviral activity is not due to cytotoxicity. The compound's effects on viral RNA synthesis are confirmed by measuring viral RNA levels.
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| Animal Protocol |
In vivo studies for HeE1-2Tyr would typically involve animal models of West Nile virus, Dengue virus, or SARS-CoV-2 infection. The compound would be administered via oral or intraperitoneal routes at doses determined by pharmacokinetic studies. Efficacy would be assessed by measuring viral loads in tissues, clinical signs of infection, and survival rates. However, specific published in vivo protocols for HeE1-2Tyr are not available in the current literature. The compound is currently used as a research tool.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for HeE1-2Tyr is not extensively reported in publicly available sources. The compound has a molecular weight of 582.67 g/mol and a molecular formula of C33H30N2O6S. It is soluble in DMSO at 100 mg/mL. As a small molecule RdRp inhibitor, it is expected to have moderate bioavailability. Storage conditions: powder at -20°C for 3 years or 4°C for 2 years; in solvent at -80°C for 6 months or -20°C for 1 month. Detailed PK parameters such as half-life are not available.
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| Toxicity/Toxicokinetics |
Toxicity data for HeE1-2Tyr is limited in publicly available sources. As with all research compounds, HeE1-2Tyr is intended for research use only and not for human therapeutic applications. Standard in vitro cytotoxicity assays and in vivo tolerability studies would be required for a complete toxicity assessment. The compound's broad-spectrum antiviral activity suggests potential for therapeutic development.
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| References | |
| Additional Infomation |
HeE1-2Tyr is a pyridobenzothiazole compound that is a potent inhibitor of flavivirus RdRp. It significantly inhibits West Nile, Dengue, and SARS-CoV-2 RdRps (IC50 of 27.6 µM). HeE1-2Tyr inhibits West Nile virus (IC50 = 2.1 µM) and all four Dengue virus serotypes (IC50s = 6.8-15 µM). It has a molecular formula of C33H30N2O6S and a molecular weight of 582.67 g/mol. HeE1-2Tyr is a valuable tool for studying viral RNA replication and developing antiviral therapies.
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| Molecular Formula |
C33H30N2O6S
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| Molecular Weight |
582.666107654572
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| Exact Mass |
582.182
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| CAS # |
2245195-67-7
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| PubChem CID |
122172828
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| Appearance |
White to yellow solid powder
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| LogP |
5.9
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
42
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| Complexity |
1090
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| Defined Atom Stereocenter Count |
1
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| SMILES |
S1C2=C(C(N[C@H](C(=O)O)CC3C=CC(=CC=3)O)=O)C=C(C3C=CC=CC=3)C(N2C2=C1C=CC(=C2)OC1CCCCC1)=O
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| InChi Key |
PTUWWNGMUPSKDC-MHZLTWQESA-N
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| InChi Code |
InChI=1S/C33H30N2O6S/c36-22-13-11-20(12-14-22)17-27(33(39)40)34-30(37)26-19-25(21-7-3-1-4-8-21)31(38)35-28-18-24(15-16-29(28)42-32(26)35)41-23-9-5-2-6-10-23/h1,3-4,7-8,11-16,18-19,23,27,36H,2,5-6,9-10,17H2,(H,34,37)(H,39,40)/t27-/m0/s1
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| Chemical Name |
(2S)-2-[(8-cyclohexyloxy-1-oxo-2-phenylpyrido[2,1-b][1,3]benzothiazole-4-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
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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 : 100 mg/mL (171.62 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 | 1.7162 mL | 8.5812 mL | 17.1624 mL | |
| 5 mM | 0.3432 mL | 1.7162 mL | 3.4325 mL | |
| 10 mM | 0.1716 mL | 0.8581 mL | 1.7162 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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