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Isatin-β-thiosemicarbazone

Cat No.:V44963 Purity: ≥98%
Isatin-β-thiosemicarbazone is an effective anti-poxvirus agent (anti-poxvirus; including monkeypox virus, orthopox virus, vaccinia virus, etc.
Isatin-β-thiosemicarbazone
Isatin-β-thiosemicarbazone Chemical Structure CAS No.: 27830-79-1
Product category: New3
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
25mg
50mg
100mg
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Product Description
Isatin-β-thiosemicarbazone is an effective anti-poxvirus agent (anti-poxvirus; including monkeypox virus, orthopox virus, vaccinia virus, etc.). Isatin-β-thiosemicarbazone is also a potent herpes simplex virus (HSV) inhibitor. Isatin-β-thiosemicarbazone has anti-viral effect against both HSV-1 and HSV-2.
Isatin-β-thiosemicarbazone (CAS: 27830-79-1) is a potent anti-poxvirus agent, including against monkeypox virus, orthopoxvirus, and vaccinia virus. It is also a potent inhibitor of herpes simplex virus (HSV), exhibiting antiviral activity against both HSV-1 and HSV-2. It interferes with multiple viral pathways. The molecular weight is 220.25, formula C9H8N4OS.
Biological Activity I Assay Protocols (From Reference)
Targets
Viral enzymes; Isatin-β-thiosemicarbazone is an antiviral agent that targets multiple viral pathways. It is a potent inhibitor of poxviruses and herpes simplex viruses. Its exact mechanism of action involves interference with viral replication processes.
ln Vitro
In vitro, Isatin-β-thiosemicarbazone exhibits potent antiviral activity against poxviruses and HSV. It is used in antiviral assays to study its efficacy against various viral strains.
ln Vivo
In vivo, Isatin-β-thiosemicarbazone has potential for the treatment of poxvirus and HSV infections. It is an effective anti-poxvirus agent for the treatment of monkeypox, orthopox, and cowpox viruses. In vivo studies would be required to evaluate its efficacy.
Enzyme Assay
In vitro, antiviral activity is assessed using cell culture models infected with specific viruses. The compound is serially diluted and added to the infected cells. Viral replication is measured using plaque assays, qPCR, or other methods to determine the EC50.
Cell Assay
In cell-based assays, virus-infected cells are treated with Isatin-β-thiosemicarbazone. The compound is typically dissolved in DMSO. Viral replication and cell viability are measured to assess antiviral efficacy and cytotoxicity.
Animal Protocol
In vivo, Isatin-β-thiosemicarbazone is administered to animal models of viral infection. The dosage and administration route depend on the specific virus and model. Efficacy is evaluated by measuring viral load, survival, and clinical signs of infection.
ADME/Pharmacokinetics
Isatin-β-thiosemicarbazone has a molecular weight of 220.25 and formula C9H8N4OS. It is soluble in DMSO. Purity: >99%. Storage: Store at -20°C.
Toxicity/Toxicokinetics
Specific toxicity data are not extensively documented. The compound is for research use only. It should be handled with appropriate safety precautions.
References
Genetic and molecular biological characterization of a vaccinia virus gene which renders the virus dependent on isatin-beta-thiosemicarbazone (IBT). Virology. 1991 Jun;182(2):442-54.
Additional Infomation
Isatin-β-thiosemicarbazone is a potent anti-poxvirus and anti-HSV agent. It interferes with multiple viral pathways.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C9H8N4OS
Molecular Weight
220.25102
Exact Mass
220.041
CAS #
27830-79-1
PubChem CID
690109
Appearance
Light yellow to yellow solid powder
LogP
2.1
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Heavy Atom Count
15
Complexity
283
Defined Atom Stereocenter Count
0
SMILES
NC(NN=C1C2=CC=CC=C2NC1=O)=S
InChi Key
PEYNLAQGUNUQLY-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H8N4OS/c10-9(15)13-12-7-5-3-1-2-4-6(5)11-8(7)14/h1-4,11,14H,(H2,10,15)
Chemical Name
(2-hydroxy-1H-indol-3-yl)iminothiourea
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

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 : ~125 mg/mL (~567.54 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (9.44 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 4.5403 mL 22.7015 mL 45.4030 mL
5 mM 0.9081 mL 4.5403 mL 9.0806 mL
10 mM 0.4540 mL 2.2701 mL 4.5403 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:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
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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
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
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.

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