| Size | Price | Stock | Qty |
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| 10mg |
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| Other Sizes |
| Targets |
IC50: 24 μM (A2t)[1]
The primary target of A2ti-1 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, viral entry, and cell signaling. By disrupting the A2-S100A10 interaction, A2ti-1 inhibits HPV16 entry into cells and inhibits ARV-mediated Src and p38 MAPK activation. The compound has a molecular formula of C20H22N4O2S and a molecular weight of 382.48 g/mol. |
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| ln Vitro |
A2ti-1 (compound 1 b) is a protein-protein interaction blocker that annexin A2-S100A10 [1]. In a dose-dependent way, A2ti-1 (100 μM) diminishes HPV16 PsV infection in HeLa cells for a duration of 72 hours [2]. A2ti-1 (10, 25, 50, 75, 100 μM; 24 hours) substantially and dose-dependently decreased the entry of HPV16 PsV tagged with CFDA-SE into HeLa cells [2].
In vitro studies have demonstrated that A2ti-1 inhibits the annexin A2-S100A10 protein-protein interaction with an IC50 of 24 μM in a cell-free assay. The compound prevents HPV16 infection in HeLa cells when used at concentrations ranging from 25 to 100 µM. A2ti-1 (2 and 10 µM) enhances cytotoxicity induced by doxorubicin. By disrupting the A2-S100A10 interaction, A2ti-1 inhibits ARV-mediated activation of Src and p38 MAPK. The compound’s antiviral and chemosensitizing activities have been confirmed in cell-based assays. |
| ln Vivo |
No detailed in vivo activity data for A2ti-1 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, HPV16 infection, and chemosensitization. Its ability to inhibit HPV16 entry and enhance doxorubicin cytotoxicity suggests that it could have potential for in vivo applications, but further studies would be needed to evaluate its efficacy in animal models.
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| Enzyme Assay |
The annexin A2-S100A10 inhibitory activity of A2ti-1 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-1. 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 24 μM.
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| Cell Assay |
Cell Viability Assay[2]
Cell Types: HeLa cells Tested Concentrations: 100 μM Incubation Duration: For 72 hrs (hours) Experimental Results: decreased HPV16 PsV infection of HeLa cells in a dose-dependent manner with 100% inhibition of infection observed at 100 μM and similar results were observed in HaCaT cells. The antiviral activity of A2ti-1 is assessed using HeLa cervical cancer cells infected with HPV16. Cells are treated with varying concentrations of A2ti-1 (25-100 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 prevents HPV16 infection in a dose-dependent manner. The chemosensitizing activity of A2ti-1 is assessed by measuring doxorubicin-induced cytotoxicity in cancer cells. |
| Animal Protocol |
No detailed in vivo animal model data for A2ti-1 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, HPV16 infection, and chemosensitization. Future studies may involve the use of mouse models of HPV infection or cancer to assess the in vivo efficacy of A2ti-1.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data for A2ti-1 has been published in the available literature. The compound has a molecular weight of 382.48 g/mol and a molecular formula of C20H22N4O2S. It is soluble in DMSO at >100 mg/mL. The compound is typically stored at -20°C. Further studies would be needed to characterize the absorption, distribution, metabolism, and excretion (ADME) properties of A2ti-1.
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| Toxicity/Toxicokinetics |
No detailed toxicity data for A2ti-1 has been published in the available literature. As a research compound, A2ti-1 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-1 for potential therapeutic development.
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| References |
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| Additional Infomation |
A2ti-1 (CAS#: 570390-00-0) is a selective and high-affinity inhibitor of the annexin A2/S100A10 heterotetramer (A2t) with an IC50 of 24 μM in a cell-free assay. The compound specifically disrupts the protein-protein interaction between annexin A2 and S100A10. A2ti-1 prevents HPV16 infection, inhibits ARV-mediated Src and p38 MAPK activation, and enhances doxorubicin-induced cytotoxicity. It has a molecular weight of 382.48 g/mol and a molecular formula of C20H22N4O2S. The compound is soluble in DMSO and is typically stored at -20°C. A2ti-1 is a valuable research tool for studying the role of the annexin A2-S100A10 interaction in viral entry, cell signaling, and cancer therapy.
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| Molecular Formula |
C20H22N4O2S
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|---|---|
| Molecular Weight |
382.4793
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| Exact Mass |
382.146
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| CAS # |
570390-00-0
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| PubChem CID |
1431565
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| Appearance |
White to off-white solid powder
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| LogP |
3.5
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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 |
8
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| Heavy Atom Count |
27
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| Complexity |
481
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C([H])([H])C(N([H])[H])=O)C1=NN=C(C([H])([H])OC2=C([H])C([H])=C([H])C([H])=C2C([H])([H])[H])N1C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C([H])([H])[H]
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| InChi Key |
KNQGIFUBCFRGDB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H22N4O2S/c1-3-15-9-5-6-10-16(15)24-19(22-23-20(24)27-13-18(21)25)12-26-17-11-7-4-8-14(17)2/h4-11H,3,12-13H2,1-2H3,(H2,21,25)
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| Chemical Name |
2-[[4-(2-ethylphenyl)-5-[(2-methylphenoxy)methyl]-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 (653.63 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.44 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 (5.44 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 (5.44 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 | 2.6145 mL | 13.0726 mL | 26.1452 mL | |
| 5 mM | 0.5229 mL | 2.6145 mL | 5.2290 mL | |
| 10 mM | 0.2615 mL | 1.3073 mL | 2.6145 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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