| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| 100mg | |||
| Other Sizes |
| Targets |
EC50: 10.7 μM (HssRS)[1] pEC50: 4.97 (HssRS)[1]
Heme sensor system (HssRS) in bacteria. VU0420373 activates this two-component system, leading to increased heme biosynthesis and subsequent toxicity in fermenting S. aureus. |
|---|---|
| ln Vitro |
Compound 2e, VU0420373, exhibits an IC50 of greater than 60 μM for both aerobic and anaerobic conditions[1]. VU0420373 can preadapt S at 40 μM for 2, 4, 6, and 8 hours. aureus to a hazardous level of heme (20 μM)[1].
VU0420373 activates HssRS with an EC₅0 of 10.7 microM (pEC₅0 = 4.97). It exhibits an IC₅0 greater than 60 microM for both aerobic and anaerobic conditions. The compound can preadapt S. aureus at 40 microM for 2-8 hours to a hazardous level of heme (20 microM). |
| ln Vivo |
No in vivo activity data has been reported for VU0420373 in available literature. The compound is primarily characterized in vitro as a bacterial heme sensor system activator.
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| Enzyme Assay |
HssRS activation assays: Bacterial cells (S. aureus) are treated with VU0420373, and HssRS activation is measured using reporter gene assays (e.g., luciferase or beta-galactosidase) or by quantifying heme biosynthesis levels. EC₅0 values are calculated from dose-response curves.
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| Cell Assay |
Bacterial toxicity assays: S. aureus cultures (fermentative and aerobic conditions) are treated with serial dilutions of VU0420373. Bacterial growth is monitored by measuring optical density (OD₆00) or by colony counting after plating. IC₅0 values for growth inhibition are determined.
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| Animal Protocol |
No in vivo animal model data has been reported for VU0420373. As a bacterial HssRS activator, it is primarily studied in vitro. Future studies could utilize murine models of S. aureus infection to evaluate in vivo efficacy.
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| ADME/Pharmacokinetics |
VU0420373 has a molecular weight of 254.26 and a molecular formula of C1₅H11FN2O. It is soluble in DMSO (50 mg/mL). Detailed pharmacokinetic parameters have not been reported.
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| Toxicity/Toxicokinetics |
No toxicity data has been published for VU0420373 in mammalian systems. As a research compound targeting bacterial HssRS, it is not intended for human therapeutic use. Its toxicity is specific to fermentative S. aureus.
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| References |
[1]. Brendan F Dutter, et al. Decoupling Activation of Heme Biosynthesis From Anaerobic Toxicity in a Molecule Active in Staphylococcus Aureus. ACS Chem Biol. 2016 May 20;11(5):1354-61.
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| Additional Infomation |
VU0420373 is a small-molecule activator of the bacterial heme sensor system (HssRS). It induces heme biosynthesis and shows toxicity to fermenting S. aureus. The compound is for research use only and has not entered clinical trials.
|
| Molecular Formula |
C15H11FN2O
|
|---|---|
| Molecular Weight |
254.26
|
| Exact Mass |
254.086
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| CAS # |
38376-29-3
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| PubChem CID |
136226476
|
| Appearance |
Off-white to light yellow solid powder
|
| LogP |
3.588
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
19
|
| Complexity |
302
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
FC1=CC=CC=C1C1NN=C(C2=CC=CC=C2O)C=1
|
| InChi Key |
SJPGLKXXUIEFLO-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C15H11FN2O/c16-12-7-3-1-5-10(12)13-9-14(18-17-13)11-6-2-4-8-15(11)19/h1-9,19H,(H,17,18)
|
| Chemical Name |
2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol
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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 : 50 mg/mL (196.65 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (3.93 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1 mg/mL (3.93 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 10.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.9330 mL | 19.6649 mL | 39.3298 mL | |
| 5 mM | 0.7866 mL | 3.9330 mL | 7.8660 mL | |
| 10 mM | 0.3933 mL | 1.9665 mL | 3.9330 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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