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Qstatin

Alias: Qstatin Q-statin Q statin
Cat No.:V13465 Purity: ≥98%
QStatin is a potent and specific inhibitor of SmcR (V.
Qstatin
Qstatin Chemical Structure CAS No.: 902688-24-8
Product category: Antiviral
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description
QStatin is a potent and specific inhibitor of SmcR (V. harveyi LuxR homolog) with EC50 of 208.9 nM. It binds tightly to SmcR and changes the flexibility of the protein, thereby altering its transcriptional regulatory activity. QStatin displays pan-QS inhibitor activity in a variety of Vibrios and attenuates their virulence in aquatic hosts. QStatin is a sustainable antivibriosis active molecule for aquaculture.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
RLU levels in V. vulnificusWT (pBB1) reveal that QStatin (0.001 μM-10 μM; 5 hours) reduces SmcR activity, with an EC50 of 208.9 nM [1]. Proteases and elastase, two SmcR-activated virulence factors in Vibrio vulnificus, exhibit dose-dependent reductions in activity in response to QStatin (5 μM–50 μM; 16 hours) [1]. Cellular SmcR levels are unaffected by QStatin (5 μM-50 μM; 16 hours), suggesting that QStatin has no influence on SmcR expression or stability [1].
References
[1]. Kim BS, et al. QStatin, a Selective Inhibitor of Quorum Sensing in Vibrio Species. MBio. 2018 Jan 30;9(1). pii: e02262-17.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C7H5BRN2O2S2
Molecular Weight
293.160797834396
Exact Mass
291.897
CAS #
902688-24-8
Related CAS #
902688-24-8
PubChem CID
3237735
Appearance
Typically exists as solid at room temperature
LogP
2.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Heavy Atom Count
14
Complexity
303
Defined Atom Stereocenter Count
0
InChi Key
MLRBBGFHILYDBK-UHFFFAOYSA-N
InChi Code
InChI=1S/C7H5BrN2O2S2/c8-6-2-3-7(13-6)14(11,12)10-5-1-4-9-10/h1-5H
Chemical Name
1-(5-Bromothiophene-2-sulfonyl)-1H-pyrazole
Synonyms
Qstatin Q-statin Q statin
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~83.33 mg/mL (~284.25 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.10 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 20.8 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.

Solubility in Formulation 2: ≥ 2.08 mg/mL (7.10 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.08 mg/mL (7.10 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 20.8 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 3.4111 mL 17.0555 mL 34.1111 mL
5 mM 0.6822 mL 3.4111 mL 6.8222 mL
10 mM 0.3411 mL 1.7056 mL 3.4111 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
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  • Enter 5 in the Volume box and choose the correct unit (mL)
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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.

Biological Data
  • QStatin inhibits the QS master regulator SmcR. (a) The chemical structure of QStatin, 1-(5-bromothiophene-2-sulfonyl)-1H-pyrazole. (b) The EC50 values for QStatin were calculated from three independent experiments and expressed as means ± SD. (c) Total protease and elastase activities of V. vulnificus ΔsmcR mutant and WT strains treated with DMSO or QStatin are indicated. Each activity level was measured, and the results are presented as a bar graph; data are expressed as means ± SD of results from three independent experiments. The amount of SmcR and DnaK (control) in each sample was determined by immunoblotting; one representative image is shown. Statistical significance was determined by one-way ANOVA (****, P < 0.0001).[1].Kim BS, et al. QStatin, a Selective Inhibitor of Quorum Sensing in Vibrio Species. MBio. 2018 Jan 30;9(1). pii: e02262-17.
  • QStatin binds to the putative ligand-binding pocket of SmcR. (a) ITC analysis showing that QStatin binds directly to SmcR with high affinity. Data are representative of two experiments with similar results. Ka, absorption rate constant. (b) Structure of the SmcR-QStatin complex. QStatin is represented by a ball-and-stick model. (c) Electron density difference map showing QStatin bound within the putative ligand-binding pocket of SmcR. The Fo-Fc map was calculated before the inclusion of QStatin and is contoured at 3.0 σ. The SmcR residues involved in the interaction with QStatin are represented by white sticks. (d) Superimposition of the apo-SmcR and SmcR-QStatin complexes. (e) QStatin reduces the flexibility of SmcR. The structures of apo-SmcR and SmcR-QStatin were compared according to their B-factor values. High and low B-factors are represented by dark and light colors, respectively. QStatin is represented by magenta sticks.[1].Kim BS, et al. QStatin, a Selective Inhibitor of Quorum Sensing in Vibrio Species. MBio. 2018 Jan 30;9(1). pii: e02262-17.
  • QStatin affects the interaction between SmcR and target promoter DNAs. (a) For EMSA, a 200-bp PvvpE DNA fragment was radioactively labeled and then used as a DNA probe. Purified SmcR protein was added to the probe (15 ng) along with either QStatin (100 μM) or DMSO (2%). As a control, a random molecule (100 μm) from the library that showed no SmcR-inhibiting activity during initial screening was added instead of QStatin. B, bound DNA; F, free DNA. (b) EMSA was performed as described for panel a, except that SmcR was mixed with DMSO (2%) or increasing amounts of QStatin as indicated. (c to e) QStatin alters the interaction between SmcR and its target promoter DNAs. The promoter DNA of vvpE (c), flhF (d), or VVMO6_03194 (e) was titrated with the apo-SmcR complex (left) or the SmcR-QStatin complex (right). The thermodynamic values calculated from the reactions are shown. Data are representative of two experiments with similar results. (f) The in vivo interaction between SmcR and the promoter DNAs in the presence (20 μM) or absence (0.02% DMSO) of QStatin was analyzed by ChIP. V. vulnificus ΔsmcR was included as a control. A representative image from two independent experiments is shown.[1].Kim BS, et al. QStatin, a Selective Inhibitor of Quorum Sensing in Vibrio Species. MBio. 2018 Jan 30;9(1). pii: e02262-17.
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