| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
LED209 targets QseC, a conserved membrane histidine sensor kinase in bacteria. QseC is a receptor that senses host signals such as norepinephrine and epinephrine, leading to the activation of virulence gene expression. By inhibiting QseC, LED209 disrupts the signaling pathways involved in bacterial virulence and pathogenesis.
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| ln Vitro |
In vitro, LED209 blocks both norepinephrine- and epinephrine-triggered QseC-dependent virulence gene expression at 5 pM. It inhibits the secretion of EspA and EspB, key virulence factors of enterohemorrhagic E. coli. LED209-mediated inhibition of virulence gene expression has been demonstrated in various bacterial species.
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| ln Vivo |
In vivo, LED209 has desirable pharmacokinetics and does not present toxicity in vitro and in rodents. It is a potent prodrug that is highly selective for QseC. It is a potential lead compound to combat infections with Legionella or Mycobacterium spp.
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| Enzyme Assay |
The activity of LED209 can be assessed using cell-free assays to measure its binding to QseC. Surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) can be used to determine the binding affinity. The inhibition of QseC autophosphorylation can be measured using kinase assays with recombinant QseC.
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| Cell Assay |
To evaluate the cellular effects of LED209, bacteria are treated with the compound, and the expression of QseC-dependent virulence genes is measured using qRT-PCR or reporter gene assays. The secretion of virulence factors such as EspA and EspB is assessed by Western blotting or ELISA.
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| Animal Protocol |
In vivo studies with LED209 typically involve administration to animals infected with pathogenic bacteria. The compound's effects on bacterial virulence, colonization, and disease progression are assessed. Pharmacokinetic parameters and toxicity are also evaluated.
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| ADME/Pharmacokinetics |
LED209 has a molecular formula of C19H17N3O2S2 and a molecular weight of 383.48. Its CAS number is 245342-14-7. The compound is a potent QseC inhibitor. It is soluble in DMSO (<3.8 mg/mL). The purity is typically >98%.
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| Toxicity/Toxicokinetics |
LED209 does not present toxicity in vitro and in rodents. It has desirable pharmacokinetics. As with all research compounds, standard safety precautions should be taken during handling.
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| References |
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| Additional Infomation |
LED209 is a potent QseC inhibitor used as a research tool to study bacterial virulence and pathogenesis. It is a potential lead compound for the development of new antibacterial agents. It is not a clinically approved drug.
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| Molecular Formula |
C19H17N3O2S2
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|---|---|
| Molecular Weight |
383.484
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| Exact Mass |
383.076
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| Elemental Analysis |
C, 59.51; H, 4.47; N, 10.96; O, 8.34; S, 16.72
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| CAS # |
245342-14-7
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| Related CAS # |
245342-14-7;
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| PubChem CID |
3421033
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| Appearance |
Solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
549.4±60.0 °C at 760 mmHg
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| Flash Point |
286.1±32.9 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.741
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
26
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| Complexity |
542
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=S(C1=CC=C(NC(NC2=CC=CC=C2)=S)C=C1)(NC3=CC=CC=C3)=O
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| InChi Key |
HNDRSTUKPCLQLT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H17N3O2S2/c23-26(24,22-17-9-5-2-6-10-17)18-13-11-16(12-14-18)21-19(25)20-15-7-3-1-4-8-15/h1-14,22H,(H2,20,21,25)
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| Chemical Name |
1-Phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea
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| Synonyms |
LED 209; LED-209; LED209
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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 (~651.91 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 | 2.6077 mL | 13.0385 mL | 26.0770 mL | |
| 5 mM | 0.5215 mL | 2.6077 mL | 5.2154 mL | |
| 10 mM | 0.2608 mL | 1.3038 mL | 2.6077 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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