| Size | Price | Stock | Qty |
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| 5mg |
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| Other Sizes |
| Targets |
Metallo β-lactamase ligand 1 targets class B metallo-β-lactamases (MBLs), which are enzymes that confer resistance to β-lactam antibiotics, including carbapenems. These enzymes require metal ions (typically zinc) for their catalytic activity. By inhibiting these enzymes, the compound can restore the activity of β-lactam antibiotics against resistant bacteria.
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| ln Vitro |
Using β-lactamase inhibitors, which target the enzyme responsible for the resistance mechanism, in conjunction with suitable β-lactam antimicrobial drugs is an effective strategy against bacteria resistant to β-lactam antibiotics [1]. Compound A, also known as metallo-β-lactamase ligand 1, exhibits remarkably low toxicity in HeLa cells [1].
In vitro, Metallo β-lactamase ligand 1 exhibits antibacterial activities by inhibiting class B β-lactamase. Its toxicity is extremely low in HeLa cells. Its inhibitory activity has been demonstrated in biochemical and cellular assays. It is a valuable tool for studying the mechanisms of antibiotic resistance. |
| ln Vivo |
Metallo-β-lactamase ligand 1 (compound A; 100 mg/kg; i.p.) execution was carried out following the infection of mice with an experimental strain (an E. coli strain injected with a plasmid encoding class B β-lactamase, IMP-1) and the observation of life and death. Compound A, or metallo-beta-lactamase ligand 1, is administered, and this considerably improves survival [1].
In vivo activity of Metallo β-lactamase ligand 1 is not detailed in the provided search results. As an inhibitor of β-lactamase, its potential in vivo application would be as an adjuvant to restore the efficacy of β-lactam antibiotics against resistant bacterial infections. Further studies would be required to confirm its efficacy and safety in animal models. |
| Enzyme Assay |
Non-cellular assays for Metallo β-lactamase ligand 1 involve measuring its inhibition of class B β-lactamase enzyme activity. These assays typically use a recombinant β-lactamase enzyme and a chromogenic or fluorogenic β-lactam substrate. The enzyme is incubated with the substrate and varying concentrations of the compound, and the decrease in substrate hydrolysis is measured to determine the IC50.
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| Cell Assay |
In vitro cellular assays for Metallo β-lactamase ligand 1 are conducted to assess its antibacterial activity and cytotoxicity. Its antibacterial activity is evaluated using standard broth microdilution methods to determine the minimum inhibitory concentration (MIC) against bacterial strains expressing class B β-lactamases. Cytotoxicity is assessed in mammalian cell lines, such as HeLa cells, where it has been shown to have extremely low toxicity.
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| Animal Protocol |
Dedicated in vivo animal experiments for Metallo β-lactamase ligand 1 are not detailed in the provided search results. If conducted, they would likely involve mouse models of bacterial infection, where the compound would be administered alone or in combination with a β-lactam antibiotic to assess its ability to restore antibiotic efficacy and improve survival.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Metallo β-lactamase ligand 1 are not available in the provided search results. It has a molecular weight of 219.22 and a molecular formula of C7H9NO5S. As a small molecule inhibitor, its properties would need to be characterized for in vivo use.
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| Toxicity/Toxicokinetics |
Metallo β-lactamase ligand 1 has shown extremely low toxicity in HeLa cells. However, comprehensive toxicological data are not available in the provided search results. The compound is intended for research use only and is not approved for human therapeutic use.
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| References | |
| Additional Infomation |
Metallo β-lactamase ligand 1 is a novel and potent inhibitor of class B β-lactamase, with antibacterial activity. It is a valuable research tool for studying antibiotic resistance mechanisms and has shown extremely low toxicity in HeLa cells.
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| Molecular Formula |
C7H9NO5S
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| Molecular Weight |
219.215060949326
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| Exact Mass |
219.02
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| CAS # |
1087784-71-1
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| PubChem CID |
39870159
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| Appearance |
Light yellow to light brown solid powder
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| LogP |
-0.1
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
14
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| Complexity |
333
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1C(C)=C(S(N)(=O)=O)C(C(O)=O)=C1C
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| InChi Key |
YPWRJNLSEWKOGW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H9NO5S/c1-3-5(7(9)10)6(4(2)13-3)14(8,11)12/h1-2H3,(H,9,10)(H2,8,11,12)
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| Chemical Name |
2,5-dimethyl-4-sulfamoylfuran-3-carboxylic acid
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| Synonyms |
Metallo βlactamase ligand 1 Metallo β lactamase ligand 1
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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 (~1140.41 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 | 4.5616 mL | 22.8081 mL | 45.6163 mL | |
| 5 mM | 0.9123 mL | 4.5616 mL | 9.1233 mL | |
| 10 mM | 0.4562 mL | 2.2808 mL | 4.5616 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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