| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Targets |
TBT1 targets the MsbA transporter, an essential ATP-binding cassette (ABC) transporter that flips LPS from the inner leaflet to the outer leaflet of the inner membrane in Gram-negative bacteria. By inhibiting MsbA, TBT1 disrupts LPS transport and biogenesis, leading to bacterial cell death. TBT1 also stimulates MsbA ATPase activity, indicating that it may act as a substrate or allosteric modulator of the transporter. This mechanism is unique to Gram-negative bacteria and has no direct mammalian target.
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| ln Vitro |
TBT1 exhibits antibacterial activity against a range of Gram-negative bacteria, including Salmonella, Pseudomonas aeruginosa, and Escherichia coli, as well as the Gram-positive bacterium Staphylococcus aureus. It stimulates MsbA ATPase activity with an EC₅₀ of 13 µM. The compound's ability to inhibit LPS transport and disrupt bacterial membrane integrity contributes to its antibacterial effects. TBT1 is considered a first-generation MsbA inhibitor.
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| ln Vivo |
In vivo activity data for TBT1 are not extensively documented in the literature. Based on its in vitro antibacterial activity against clinically relevant pathogens, TBT1 is anticipated to have potential in vivo efficacy in animal models of bacterial infection. However, specific studies detailing its therapeutic efficacy, pharmacokinetics, and toxicity in animal models are limited. The compound is primarily used as a research tool for studying LPS biogenesis.
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| Enzyme Assay |
The non-cellular enzyme/receptor binding assay for TBT1 typically involves MsbA ATPase activity assays using membrane preparations from bacteria overexpressing MsbA. ATPase activity is measured by quantifying inorganic phosphate released from ATP hydrolysis using a colorimetric or malachite green assay. TBT1 is incubated with MsbA-containing membranes and ATP, and the EC₅₀ for ATPase stimulation is calculated from dose-response curves. Alternatively, LPS transport assays using inside-out membrane vesicles can be employed.
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| Cell Assay |
In vitro cellular assays for TBT1 typically use broth microdilution or agar dilution methods to determine minimum inhibitory concentrations (MICs) against a panel of bacterial strains, including Salmonella, Pseudomonas aeruginosa, Escherichia coli, and Staphylococcus aureus. Bacteria are cultured in appropriate media and treated with serial dilutions of TBT1. MIC values are determined as the lowest concentration that inhibits visible bacterial growth after 16-24 hours of incubation at 37°C.
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| Animal Protocol |
In vivo animal studies for TBT1 are not well documented. Based on its antibacterial mechanism targeting LPS biogenesis, typical study designs would involve mouse models of infection using clinically relevant bacterial strains. TBT1 would be administered via intraperitoneal or intravenous injection. Bacterial load in blood and target organs, survival rates, and body weight changes would be monitored. Efficacy would be compared to standard antibiotic treatments.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of TBT1 are not extensively characterized in the literature. As a small molecule with molecular weight 335.81 (C₁₆H₁₄ClNO₃S), it is expected to have moderate lipophilicity. The compound is soluble in DMSO. Metabolic pathways, oral bioavailability, half-life, and protein binding are not well documented. Further pharmacokinetic studies would be needed to characterize its absorption, distribution, metabolism, and excretion properties.
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| Toxicity/Toxicokinetics |
Pharmacokinetic properties of TBT1 are not extensively characterized in the literature. As a small molecule with molecular weight 335.81 (C₁₆H₁₄ClNO₃S), it is expected to have moderate lipophilicity. The compound is soluble in DMSO. Metabolic pathways, oral bioavailability, half-life, and protein binding are not well documented. Further pharmacokinetic studies would be needed to characterize its absorption, distribution, metabolism, and excretion properties.
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| Additional Infomation |
TBT1 is a research-grade compound intended for laboratory use only. It is not approved for clinical use as an antibacterial agent. Its primary applications include studying the MsbA transporter and LPS biogenesis in Gram-negative bacteria, investigating mechanisms of antibiotic resistance, and exploring new targets for antibacterial drug discovery. TBT1 is a valuable tool for understanding bacterial membrane biology and developing novel strategies to combat multidrug-resistant bacterial infections.
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| Molecular Formula |
C16H14CLNO3S
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|---|---|
| Molecular Weight |
335.805262088776
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| Exact Mass |
335.038
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| CAS # |
52535-76-9
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| PubChem CID |
2259677
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
4.7
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
22
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| Complexity |
439
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)O
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| InChi Key |
DUJFDTGMUKWELI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H14ClNO3S/c17-10-7-5-9(6-8-10)14(19)18-15-13(16(20)21)11-3-1-2-4-12(11)22-15/h5-8H,1-4H2,(H,18,19)(H,20,21)
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| Chemical Name |
2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic 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 : ~125 mg/mL (~372.23 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 | 2.9779 mL | 14.8894 mL | 29.7787 mL | |
| 5 mM | 0.5956 mL | 2.9779 mL | 5.9557 mL | |
| 10 mM | 0.2978 mL | 1.4889 mL | 2.9779 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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