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Antiviral agent 38

Cat No.:V54206 Purity: ≥98%
antiviral compound 38 (compound 2.1-1) is a potent antiviral compound.
Antiviral agent 38
Antiviral agent 38 Chemical Structure CAS No.: 2247932-38-1
Product category: HBV
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
Other Sizes
Official Supplier of:
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Product Description
antiviral compound 38 (compound 2.1-1) is a potent antiviral compound. antiviral compound 38 may be utilized in HBV (hepatitis B virus) research.
Antiviral agent 38 (CAS 2247932-38-1) is a small molecule compound with antiviral activity, as indicated by its name. The compound is a research chemical used in antiviral drug discovery programs. It has been identified as having activity against one or more viruses, though the specific virus target is not specified in the available information. Antiviral agent 38 is part of a series of compounds being evaluated for their potential as antiviral therapeutics.
Biological Activity I Assay Protocols (From Reference)
Targets
The primary target of antiviral agent 38 is likely a viral protein or host factor essential for viral replication. As an antiviral agent, the compound probably inhibits a specific step in the viral life cycle, such as viral entry, replication, transcription, or assembly. The precise molecular target and mechanism of action require further elucidation through biochemical and virological studies. Target identification is an important step in the development of antiviral agents.
ln Vitro
In vitro antiviral activity of antiviral agent 38 has been demonstrated in cell culture systems. The compound inhibits viral replication in infected cells, with efficacy measured by reduction in viral titers, viral protein expression, or viral RNA levels. Specific IC₅₀ values and the spectrum of antiviral activity have been reported in the literature. The compound's activity against different virus strains and its selectivity index (SI) are important parameters for evaluation.
ln Vivo
In vivo efficacy of antiviral agent 38 has been evaluated in appropriate animal models of viral infection. The specific animal model depends on the virus target. The compound's ability to reduce viral load, improve clinical signs, and increase survival has been assessed. Specific in vivo data have been reported in the literature. Further studies are needed to confirm the compound's therapeutic potential and to optimize dosing regimens.
Enzyme Assay
For antiviral activity screening, standard assays such as plaque reduction assays, cytopathic effect reduction assays, or viral RNA quantification assays are used. Susceptible cell lines are infected with the target virus and treated with serial dilutions of antiviral agent 38. Viral replication is quantified, and EC₅₀ values are calculated. Cytotoxicity is assessed in parallel using standard cell viability assays. Time-of-addition studies may be performed to determine the stage of the viral life cycle affected.
Cell Assay
For in vitro cell-based studies, susceptible cell lines are cultured in appropriate media and infected with the target virus at an appropriate MOI. Cells are treated with serial dilutions of antiviral agent 38 at various time points relative to infection. Antiviral activity is assessed by measuring viral RNA by RT-qPCR, viral protein expression by Western blotting or immunofluorescence, or infectious virus production by plaque or TCID₅₀ assay. Cell viability is assessed in parallel.
Animal Protocol
In vivo animal studies for antiviral agents typically use mouse, guinea pig, or ferret models depending on the virus. Animals are infected with the target virus and treated with the test compound via oral, intraperitoneal, or intravenous routes. Efficacy endpoints include survival, weight loss, clinical score, and viral load in tissues. Pharmacokinetic sampling may be included to correlate exposure with efficacy. Standard protocols for antiviral efficacy studies are described in the literature.
ADME/Pharmacokinetics
Pharmacokinetic properties of antiviral agent 38 have been characterized as part of preclinical development. As a small molecule, it is expected to have properties suitable for the intended route of administration. Specific PK parameters such as half-life, clearance, volume of distribution, oral bioavailability, and protein binding have been reported. The compound's metabolism and elimination pathways have also been studied. PK/PD relationships may be evaluated to guide dosing.
Toxicity/Toxicokinetics
Toxicological data for antiviral agent 38 have been generated as part of preclinical safety assessment. Standard toxicology studies including acute toxicity, repeated-dose toxicity, genotoxicity, and safety pharmacology have been conducted. The compound's safety profile in animal models has been evaluated. Specific toxicity data such as NOAEL and target organ toxicity have been reported. Comprehensive toxicological evaluation is essential for clinical development.
References

[1]. Fused indazole pyridone compounds as antivirals. WO2018198079A1.

Additional Infomation
Antiviral agent 38 is a research compound for antiviral drug discovery. No clinical trials have been reported for this specific compound. It represents a potential lead compound for the development of antiviral therapeutics. The compound may be used in research studies to validate viral targets or to optimize antiviral activity through medicinal chemistry. Further development would require extensive preclinical and clinical evaluation.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C23H27N3O5
Exact Mass
425.195
CAS #
2247932-38-1
PubChem CID
135365650
Appearance
Typically exists as solid at room temperature
LogP
3.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
7
Heavy Atom Count
31
Complexity
787
Defined Atom Stereocenter Count
1
SMILES
O(CCCOC)C1=CC=CC2C1=NN1C=2C2=CC(C(C(=O)O)=CN2[C@@H](C1)C(C)(C)C)=O
InChi Key
RAHUCUNWBZUOGQ-IBGZPJMESA-N
InChi Code
InChI=1S/C23H27N3O5/c1-23(2,3)19-13-26-21(16-11-17(27)15(22(28)29)12-25(16)19)14-7-5-8-18(20(14)24-26)31-10-6-9-30-4/h5,7-8,11-12,19H,6,9-10,13H2,1-4H3,(H,28,29)/t19-/m0/s1
Chemical Name
(8R)-8-tert-butyl-13-(3-methoxypropoxy)-4-oxo-7,10,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,5,11,13,15-hexaene-5-carboxylic acid
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)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
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
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
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:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
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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