| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
IC50: 230 μM (A2t)[1]
The primary target of A2ti-2 is the protein-protein interaction between annexin A2 and S100A10. Annexin A2 is a calcium-dependent phospholipid-binding protein that plays a role in membrane organization, exocytosis, and cell proliferation. S100A10 is a small calcium-binding protein that forms a heterotetramer with annexin A2. This heterotetramer (A2t) is involved in various cellular processes, including plasminogen activation and viral entry. By disrupting the A2-S100A10 interaction, A2ti-2 inhibits HPV16 entry into cells. The compound has a molecular formula of C18H18N4O2S and a molecular weight of 354.43 g/mol. |
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| ln Vitro |
A2ti-2 (compound 7a) is a blocker of protein-protein interactions between annexin A2-S100A10[1]. At 100 μM, A2ti-2 is only 50% effective in reducing HPV16 PsV infection. At 100 μM, HPV16 entrance is reduced by 20% by A2ti-1[2].
In vitro studies have demonstrated that A2ti-2 inhibits the annexin A2-S100A10 protein-protein interaction with an IC50 of 230 μM in a cell-free assay. The compound protects against HPV16 infection in HeLa cervical cancer cells when used at concentrations of 50, 75, or 100 µM. By disrupting the A2-S100A10 interaction, A2ti-2 prevents HPV16 from entering cells. The compound’s antiviral activity has been confirmed in cell-based assays. |
| ln Vivo |
No detailed in vivo activity data for A2ti-2 has been published in the available literature. The compound has been primarily characterized in vitro as a research tool for studying the annexin A2-S100A10 interaction and HPV16 infection. Its ability to inhibit HPV16 entry suggests that it could have potential for in vivo applications, but further studies would be needed to evaluate its efficacy in animal models of HPV infection.
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| Enzyme Assay |
The annexin A2-S100A10 inhibitory activity of A2ti-2 can be assessed using in vitro protein-protein interaction assays. In a typical assay, recombinant annexin A2 and S100A10 proteins are incubated with varying concentrations of A2ti-2. The disruption of the protein-protein interaction is measured using fluorescence polarization, surface plasmon resonance, or ELISA-based methods. The IC50 is calculated from dose-response curves. The compound shows an IC50 of 230 μM.
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| Cell Assay |
The antiviral activity of A2ti-2 is assessed using HeLa cervical cancer cells infected with HPV16 pseudovirus or live virus. Cells are treated with varying concentrations of A2ti-2 (50, 75, or 100 µM) prior to or during infection. Viral entry is measured by quantifying the expression of reporter genes or by measuring viral RNA levels. The compound protects against HPV16 infection in a dose-dependent manner.
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| Animal Protocol |
No detailed in vivo animal model data for A2ti-2 has been published in the available literature. The compound has been primarily characterized in vitro as a research tool for studying the annexin A2-S100A10 interaction and HPV16 infection. Future studies may involve the use of mouse models of HPV infection to assess the in vivo efficacy of A2ti-2.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data for A2ti-2 has been published in the available literature. The compound has a molecular weight of 354.43 g/mol and a molecular formula of C18H18N4O2S. It is soluble in DMSO at 150 mg/mL. The compound is typically stored as a powder at -20°C. Further studies would be needed to characterize the absorption, distribution, metabolism, and excretion (ADME) properties of A2ti-2.
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| Toxicity/Toxicokinetics |
No detailed toxicity data for A2ti-2 has been published in the available literature. As a research compound, A2ti-2 has not been subjected to comprehensive toxicology studies. The compound is intended for research use only and is not for human therapeutic use. Comprehensive toxicology studies would be required to evaluate the safety profile of A2ti-2 for potential therapeutic development.
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| References |
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| Additional Infomation |
A2ti-2 (CAS#: 482646-13-9) is a selective inhibitor of the annexin A2/S100A10 heterotetramer (A2t) with an IC50 of 230 μM in a cell-free assay. The compound specifically disrupts the protein-protein interaction between annexin A2 and S100A10 and prevents HPV16 infection. It has a molecular weight of 354.43 g/mol and a molecular formula of C18H18N4O2S. The compound is soluble in DMSO at 150 mg/mL and is typically stored at -20°C. A2ti-2 is a valuable research tool for studying the role of the annexin A2-S100A10 interaction in viral entry and cellular processes.
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| Molecular Formula |
C18H18N4O2S
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|---|---|
| Molecular Weight |
354.426122188568
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| Exact Mass |
354.115
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| CAS # |
482646-13-9
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| PubChem CID |
1076904
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| Appearance |
White to off-white solid powder
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| LogP |
2.7
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
25
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| Complexity |
433
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(CC(N)=O)C1=NN=C(COC2C=CC=CC=2C)N1C1C=CC=CC=1
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| InChi Key |
DRZJLOOZLBTLAL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H18N4O2S/c1-13-7-5-6-10-15(13)24-11-17-20-21-18(25-12-16(19)23)22(17)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H2,19,23)
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| Chemical Name |
2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
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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 : 250 mg/mL (705.36 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.87 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 20.8 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: ≥ 2.08 mg/mL (5.87 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 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (5.87 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 | 2.8214 mL | 14.1072 mL | 28.2143 mL | |
| 5 mM | 0.5643 mL | 2.8214 mL | 5.6429 mL | |
| 10 mM | 0.2821 mL | 1.4107 mL | 2.8214 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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