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| Targets |
Acedoben is a biochemical agent that, in combination with iron ions, forms a self-assembled coordination complex. As a compound, it does not have specific biological receptors as its primary targets. The Fe-Ace coordination complex can serve as a carrier of tumor antigens and enhance antigen-specific anti-tumor immunity due to its inherent adjuvant properties. The compound's mechanism of action is related to its ability to coordinate with metal ions and form nanoparticles for antigen delivery. Its primary applications are as a research reagent and as a component of coordination complexes for immunotherapy research.
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| ln Vitro |
In vitro, acedoben is used as a biochemical reagent and organic compound for biomedical research. Acedoben and iron ions can construct a fast self-assembled coordination complex. The Fe-Ace coordination complex can serve as a carrier of tumor antigens and enhance antigen-specific anti-tumor immunity. Cellular assays may evaluate the ability of Fe-Ace complexes to deliver antigens to antigen-presenting cells, stimulate immune responses, or inhibit tumor cell growth. The compound's PABA-derived structure allows for various chemical modifications.
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| ln Vivo |
In vivo, acedoben-iron coordination complexes have been studied for their ability to enhance antigen-specific anti-tumor immunity. The Fe-Ace coordination complex can serve as a carrier of tumor antigens and enhance immune responses due to its inherent adjuvant properties. This suggests potential applications in cancer immunotherapy. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. Specific in vivo data for therapeutic applications is limited but promising.
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| Enzyme Assay |
In vitro assays for acedoben typically evaluate its ability to form coordination complexes with metal ions and its immunostimulatory properties. A standard protocol involves mixing acedoben with iron ions (e.g., FeCl₃) in appropriate buffer systems to form self-assembled coordination complexes. The complexes are characterized using techniques such as dynamic light scattering, TEM, and UV-Vis spectroscopy. For immunostimulation studies, dendritic cells or macrophages are cultured with the Fe-Ace complexes. Antigen uptake, maturation markers (e.g., CD80, CD86, MHC II), and cytokine production are assessed by flow cytometry or ELISA.
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| Cell Assay |
Cellular assays for acedoben-iron complexes typically evaluate their ability to deliver antigens and stimulate immune responses. A standard protocol involves culturing dendritic cells or macrophages in growth medium at 37°C with 5% CO₂. Cells are treated with Fe-Ace complexes encapsulating model antigens (e.g., OVA) at varying concentrations. Antigen uptake is assessed by flow cytometry using fluorescently labeled antigens. Dendritic cell maturation is evaluated by measuring surface marker expression (CD80, CD86, MHC II) by flow cytometry. Cytokine production (e.g., IL-12, TNF-α) is measured by ELISA. T cell activation can be assessed in co-culture assays.
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| Animal Protocol |
In vivo animal studies for acedoben-iron complexes typically evaluate their anti-tumor efficacy and immunostimulatory properties. A common protocol involves administering Fe-Ace complexes encapsulating tumor antigens to tumor-bearing mice via subcutaneous or intravenous injection. Tumor growth is monitored regularly. Immune responses are assessed by measuring antigen-specific T cell responses (ELISPOT, intracellular cytokine staining), antibody production, and tumor-infiltrating lymphocyte analysis. The adjuvant properties of the Fe-Ace complexes are evaluated by comparing immune responses with and without the complexes.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for acedoben is limited, as it is primarily a research reagent. The compound has a molecular weight of 179.17 g/mol and a molecular formula of C₉H₉NO₃. It is a solid at room temperature. As an acetylated PABA derivative, it may undergo deacetylation to PABA and subsequent metabolism. The compound's ability to form coordination complexes with iron ions influences its pharmacokinetics when used in complex formulations. Specific ADME data is not available. The compound is stored in a dry, cool place.
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| Toxicity/Toxicokinetics |
Acedoben is classified for research use only and is not intended for human or veterinary applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values or detailed toxicological profiles are available in the public domain.
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| Additional Infomation |
Acetaminobenzoic acid is found as a needle-like or grayish-white powder. (NTP, 1992)
4-Acetaminobenzoic acid is an aminobenzoic acid composed of benzoic acid with an acetamino substituent attached at the 4-position. It is functionally related to 4-aminobenzoic acid and is the conjugate acid of 4-acetaminobenzoic acid esters. 4-Acetaminobenzoic acid has been reported to have been found in Baeospora myosura, and relevant data are available. Acedoben (4-Acetamidobenzoic acid, CAS 556-08-1) is a biochemical reagent with the molecular formula C₉H₉NO₃. It is the acetylated derivative of para-aminobenzoic acid (PABA). The compound forms self-assembled coordination complexes with iron ions that can serve as tumor antigen carriers and enhance anti-tumor immunity. It is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent. |
| Molecular Formula |
C9H9NO3
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| Molecular Weight |
179.17
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| Exact Mass |
179.058
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| CAS # |
556-08-1
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| Related CAS # |
Acedoben-d3;57742-39-9
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| PubChem CID |
19266
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
439.6±28.0 °C at 760 mmHg
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| Melting Point |
493.7 °F (NTP, 1992)
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| Flash Point |
219.7±24.0 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.620
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| LogP |
1.31
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
13
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| Complexity |
207
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C(C1C([H])=C([H])C(=C([H])C=1[H])N([H])C(C([H])([H])[H])=O)=O
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| InChi Key |
QCXJEYYXVJIFCE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
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| Chemical Name |
4-acetamidobenzoic 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 (558.13 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.95 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 25.0 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: ≥ 2.5 mg/mL (13.95 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 25.0 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: ≥ 2.5 mg/mL (13.95 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 | 5.5813 mL | 27.9065 mL | 55.8129 mL | |
| 5 mM | 1.1163 mL | 5.5813 mL | 11.1626 mL | |
| 10 mM | 0.5581 mL | 2.7906 mL | 5.5813 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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