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RIG-1 modulator 1

Cat No.:V32888 Purity: ≥98%
RIG-1 modulator 1 is a novel and potent anti-viral agent useful for the treatment of viral infections including influenza virus, HBV, HCV and HIV, extracted from patent WO 2015172099 A1.
RIG-1 modulator 1
RIG-1 modulator 1 Chemical Structure CAS No.: 1428729-63-8
Product category: New2
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
Other Sizes
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Product Description
RIG-1 modulator 1 is a novel and potent anti-viral agent useful for the treatment of viral infections including influenza virus, HBV, HCV and HIV, extracted from patent WO 2015172099 A1.
RIG-1 modulator 1 (CAS 1428729-63-8) is a synthetic small-molecule agonist of the retinoic acid-inducible gene I (RIG-I) pathway, a critical component of the innate immune response to viral infections. It has a molecular formula of C₁₄H₁₇N₅OS₂ and a molecular weight of 335.45. RIG-1 modulator 1 is an antiviral compound active against influenza virus, HBV, HCV, and HIV. It is extracted from patent WO 2015172099 A1.
Biological Activity I Assay Protocols (From Reference)
Targets
RIG-1 modulator 1 targets the RIG-I pathway as a direct agonist. By activating RIG-I, it induces IFN-β expression through activation of the innate immune response. The compound facilitates enhanced antiviral signaling and has potential combinatorial effects when combined with polymerase inhibitors or immunomodulators.
ln Vitro
In vitro, RIG-1 modulator 1 is a potent RIG-I agonist. It activates the innate immune response and induces IFN-β expression. The compound exhibits antiviral activity against influenza virus, HBV, HCV, and HIV in cell-based assays. It is used in research on antiviral infections and tumor immunotherapy.
ln Vivo
In vivo activity of RIG-1 modulator 1 has not been extensively characterized in animal models. The compound is an antiviral research compound from a patent application. Specific in vivo efficacy studies have not been detailed in the available literature. The compound is intended for research use only.
Enzyme Assay
In vitro enzyme/receptor binding assays for RIG-1 modulator 1 typically involve studying its binding to RIG-I or its effects on RIG-I signaling. The compound is incubated with purified RIG-I protein or cell lysates, and binding is assessed using surface plasmon resonance or other biophysical methods. RIG-I activation is measured by assessing downstream signaling events.
Cell Assay
In vitro cell-based assays for RIG-1 modulator 1 typically employ cells expressing RIG-I, such as macrophages, dendritic cells, or epithelial cells. Cells are treated with various concentrations of the compound. RIG-I pathway activation is assessed by measuring IFN-β production via ELISA or qPCR, IRF3 phosphorylation by Western blot, and NF-κB activation by reporter gene assays. Antiviral activity is assessed in virus-infected cell cultures.
Animal Protocol
In vivo animal studies with RIG-1 modulator 1 have not been extensively reported. The compound is an antiviral research compound from a patent application. Future studies may involve administration of the compound in animal models of viral infection to evaluate its antiviral efficacy. Currently, no specific in vivo data are available.
ADME/Pharmacokinetics
Pharmacokinetic (PK) properties of RIG-1 modulator 1 have not been characterized. As a small molecule with a molecular weight of 335.45, the compound may have reasonable oral bioavailability and cell permeability. However, specific PK parameters have not been determined. The compound is intended for research use only.
Toxicity/Toxicokinetics
The toxicity profile of RIG-1 modulator 1 has not been characterized. The compound is intended for research use only and is not approved for human therapeutic applications. No specific toxicology data are available. Standard safety precautions should be followed when handling this compound.
References

[1]. Anti-viral compounds, pharmaceutical compositions, and methods of use thereof . WO 2015172099 A1.

Additional Infomation
RIG-1 modulator 1 is a research-grade RIG-I agonist used in antiviral and tumor immunotherapy research. It is not an approved therapeutic drug and has no clinical trial history. The compound is supplied with purity ≥99%. Synonyms include 1-(2-(dimethylamino)ethyl)-3-(7-methylbenzo[1,2-d:3,4-d']bis(thiazole)-2-yl)urea.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C14H17N5OS2
Molecular Weight
335.447679281235
Exact Mass
335.087
CAS #
1428729-63-8
PubChem CID
71549283
Appearance
White to light yellow solid powder
LogP
2.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Heavy Atom Count
22
Complexity
411
Defined Atom Stereocenter Count
0
SMILES
S1C(NC(NCCN(C)C)=O)=NC2=CC=C3C(=C12)N=C(C)S3
InChi Key
HORUPPJGOWQYBQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C14H17N5OS2/c1-8-16-11-10(21-8)5-4-9-12(11)22-14(17-9)18-13(20)15-6-7-19(2)3/h4-5H,6-7H2,1-3H3,(H2,15,17,18,20)
Chemical Name
1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
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 : ≥ 35 mg/mL (~104.34 mM)
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.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.9811 mL 14.9054 mL 29.8107 mL
5 mM 0.5962 mL 2.9811 mL 5.9621 mL
10 mM 0.2981 mL 1.4905 mL 2.9811 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
  • 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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