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Anguizole

Cat No.:V11301 Purity: ≥98%
Anguizole is a small molecule inhibitor of HCV (hepatitis C virus) replication that changes the subcellular distribution of NS4B.
Anguizole
Anguizole Chemical Structure CAS No.: 442666-98-0
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
50mg
Other Sizes
Official Supplier of:
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Product Description
Anguizole is a small molecule inhibitor of HCV (hepatitis C virus) replication that changes the subcellular distribution of NS4B.
Biological Activity I Assay Protocols (From Reference)
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C17H11N4O2F2SCL
Molecular Weight
408.80964
Exact Mass
408.026
CAS #
442666-98-0
PubChem CID
1046082
Appearance
Light yellow to yellow solid powder
LogP
4.843
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
5
Heavy Atom Count
27
Complexity
561
Defined Atom Stereocenter Count
0
InChi Key
GBNREAYNZPJROB-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H11ClF2N4O2S/c18-17(19,20)14-7-11(13-4-1-5-26-13)22-15-8-12(23-24(14)15)16(25)21-9-10-3-2-6-27-10/h1-8H,9H2,(H,21,25)
Chemical Name
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
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 : ~50 mg/mL (~122.31 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.12 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 25.0 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 2.4461 mL 12.2306 mL 24.4612 mL
5 mM 0.4892 mL 2.4461 mL 4.8922 mL
10 mM 0.2446 mL 1.2231 mL 2.4461 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.

Biological Data
  • A small molecule inhibits HCV replication. (A) Structure of the compound, referred to as “Anguizole,” which was originally reported as a ligand of NS4B (Chunduru et al., 2005). (B) Mean 50% effective concentrations (EC50) of the compound were determined by treating luciferase-linked HCV replicons with various concentrations of anguizole and assaying luciferase activity as a measure of HCV replication. Pictured above is a representative experiment for genotype 1b, in which anguizole concentrations ranging from 0.0001 to 7.2 µM were tested. Replication and cell viability levels are reported as a percentage of the nontreated control. The mean EC50 was 310 nM, while the CC50 was greater than 50 µM. Each data point is the mean of three replicates, and error bars indicate SEM.[1].A small molecule inhibits HCV replication and alters NS4B's subcellular distribution Antiviral Research (2010), 87(1), 1-8.
  • Characterization of the H94R resistance mutation. (A and B) Transient luciferase replication assays were performed with genotype 1b HCV replicon constructs containing either a histidine (WT, black) or an arginine (H94R, dark gray) at amino acid 94 in the NS4B sequence. (A) Luciferase assays were performed following 5 days of treatment with various concentrations of anguizole. Replication levels (RLU) are shown relative to the maximal luminescence observed for each electroporation, and they are normalized to cell viability measurements for each sample. EC50 values were calculated to be 0.20 µM for WT and 7.5 µM for the H94R mutant. (B) Replication kinetics were tested for these constructs, along with a polymerase defective control (Pol-, light gray), over a 6-day period in the absence of anguizole. Replication levels are shown relative to the maximal luminescence observed for all electroporations. Compared to wild-type, the H94R mutant is impaired in its replication ability. Each data point is the mean of three replicates and error bars represent SEM.[1].A small molecule inhibits HCV replication and alters NS4B's subcellular distribution Antiviral Research (2010), 87(1), 1-8.
  • Anguizole alters the subcellular distribution of NS4B-GFP in transiently transfected cells. Huh7.5 cells were cultured in the absence (A, D, F) or presence (B, C, E, G) of 5 µM anguizole, either alone (F, G) or following transfection with NS4B-GFP (A, B, C) or GFP-NS5A (D, E). (A) In nontreated cells, NS4B-GFP displays an ER-associated pattern of localization, along with several membrane-associated foci (MAF) of varying size throughout the cytoplasm. (B and C) In the presence of anguizole, NS4B-GFP appears to form elongated, curved structures (“snakes”), most commonly observed to be small and dispersed (B), but occasionally observed to be dramatically long (C). (Insets of A and B) Zoomed-in images highlight the differences in shape and length between MAF and snakes. (D and E) The distribution pattern of a GFP-NS5A fusion protein is equivalent in untreated (D) and treated (E) samples. (F and G) The pattern of calnexin staining is equivalent in untreated (F) and treated cells (G). Scale bars represent 50 µm.[1].A small molecule inhibits HCV replication and alters NS4B's subcellular distribution Antiviral Research (2010), 87(1), 1-8.
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