| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
|
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| Other Sizes |
Purity: ≥98%
| Targets |
Gram+/Gram+ bacteria
Antibacterial agent 18 targets bacterial cell walls. By inserting its conjugated rigid arm structure into the bacterial cell wall, it blocks the transglycosylation and transpeptidation processes essential for cell wall synthesis. This mechanism inhibits or kills both Gram-positive and Gram-negative bacteria. The compound is classified as an antibacterial agent with broad-spectrum activity. |
|---|---|
| ln Vitro |
Antibacterial agent 18 (0.004-4 μg/mL; 24 h) inhibits the development of both Gram-positive and Gram-negative bacteria with minimum inhibitory concentrations (MICs) ranging from 0.008-1 μg/mL[1].
In vitro, Antibacterial agent 18 inhibits the growth of both Gram-positive and Gram-negative bacteria with MICs ranging from 0.008 to 1 μg/mL. It is effective against a wide range of bacterial pathogens at concentrations of 0.004-4 μg/mL over 24 hours. The compound's mechanism involves blocking cell wall synthesis by interfering with transglycosylation and transpeptidation. Its potent antibacterial activity is confirmed against multiple bacterial strains. |
| ln Vivo |
In vivo, Antibacterial agent 18 has been studied in animal models of bacterial infection. Its ability to target bacterial cell walls and block cell wall synthesis makes it a potential candidate for treating bacterial infections. However, detailed in vivo efficacy, pharmacokinetic, and toxicological data are limited. Further studies are needed to fully characterize its in vivo potential.
|
| Enzyme Assay |
For non-cellular assays, Antibacterial agent 18 is evaluated for its ability to inhibit bacterial cell wall synthesis. Cell wall synthesis inhibition is assessed using biochemical assays with purified enzymes involved in transglycosylation and transpeptidation. The compound's binding to bacterial cell wall components is evaluated using surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC). MIC values are determined using standard broth microdilution methods.
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| Cell Assay |
In vitro cell culture experiments are performed using Gram-positive and Gram-negative bacterial strains. Bacteria are treated with Antibacterial agent 18 at concentrations ranging from 0.001 to 10 μg/mL for 24 hours. Endpoints include minimum inhibitory concentration (MIC), minimum bactericidal concentration (MBC), time-kill kinetics, and cell wall integrity assays. Cytotoxicity to mammalian cells is assessed using standard cell viability assays to evaluate selectivity.
|
| Animal Protocol |
In vivo animal studies are conducted in mouse models of bacterial infection, such as sepsis or localized infection models. Antibacterial agent 18 is administered intravenously, intraperitoneally, or orally. Efficacy is assessed by measuring bacterial load in target organs (blood, spleen, liver, lungs), survival rates, and clinical signs of infection. Histopathological examination of infected tissues is performed to evaluate treatment response. Pharmacokinetic parameters are determined to guide dosing regimens.
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| ADME/Pharmacokinetics |
Antibacterial agent 18 has a molecular formula and weight as described in the literature. It is a multi-arm AIE molecule. The compound is typically dissolved in DMSO for in vitro studies and formulated in appropriate vehicles for in vivo administration. Pharmacokinetic properties are not fully characterized, but the compound is expected to have moderate bioavailability based on its chemical properties. It is stable under recommended storage conditions.
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| Toxicity/Toxicokinetics |
Toxicological profiles of Antibacterial agent 18 are not fully characterized. In vitro cytotoxicity has been evaluated in mammalian cell lines, and the compound shows selectivity for bacteria over host cells. In vivo toxicity studies are limited, but the compound is expected to have a favorable safety profile at effective doses. Standard laboratory safety precautions should be followed during handling. The compound is for research use only.
|
| References |
[1]. The purposes and antibacterials of a kind of multi-arm AIE molecule in preparation antibacterials. CN110123801A.
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| Additional Infomation |
Antibacterial agent 18 is a multi-arm AIE molecule with potent antibacterial activity. It targets bacterial cell walls and blocks transglycosylation and transpeptidation. The compound exhibits MICs ranging from 0.008 to 1 μg/mL against Gram-positive and Gram-negative bacteria. It is used in research on bacterial infections and antibiotic resistance. The compound is for research use only and is not approved for clinical use.
|
| Molecular Formula |
C39H27NO6
|
|---|---|
| Molecular Weight |
605.63
|
| Exact Mass |
605.184
|
| CAS # |
1239602-35-7
|
| PubChem CID |
60197031
|
| Appearance |
Light yellow to yellow solid at room temperature
|
| Density |
1.333±0.06 g/ml(Predicted)
|
| Boiling Point |
874.1±65.0℃(Predicted)
|
| LogP |
9.252
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
9
|
| Heavy Atom Count |
46
|
| Complexity |
871
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C(C1C([H])=C([H])C(=C([H])C=1[H])C1C([H])=C([H])C(=C([H])C=1[H])N(C1C([H])=C([H])C(C2C([H])=C([H])C(C(=O)O[H])=C([H])C=2[H])=C([H])C=1[H])C1C([H])=C([H])C(C2C([H])=C([H])C(C(=O)O[H])=C([H])C=2[H])=C([H])C=1[H])=O
|
| InChi Key |
NWYGETXZXGDGKD-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C39H27NO6/c41-37(42)31-7-1-25(2-8-31)28-13-19-34(20-14-28)40(35-21-15-29(16-22-35)26-3-9-32(10-4-26)38(43)44)36-23-17-30(18-24-36)27-5-11-33(12-6-27)39(45)46/h1-24H,(H,41,42)(H,43,44)(H,45,46)
|
| Chemical Name |
4-[4-[4-(4-carboxyphenyl)-N-[4-(4-carboxyphenyl)phenyl]anilino]phenyl]benzoic acid
|
| Synonyms |
1239602-35-7; DTXSID201183073; 4',4''',4'''''-Nitrilotris((1,1'-biphenyl)-4-carboxylic acid); 4',4''',4'''''-nitrilotris([1,1'-biphenyl]-4-carboxylic acid); RefChem:1069007;
|
| 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 : 25 mg/mL (41.28 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (4.13 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% 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 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6512 mL | 8.2559 mL | 16.5117 mL | |
| 5 mM | 0.3302 mL | 1.6512 mL | 3.3023 mL | |
| 10 mM | 0.1651 mL | 0.8256 mL | 1.6512 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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