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Amylmetacresol

Cat No.:V8427 Purity: ≥98%
Amylmetacresol is an antiviral (eg HIV virus) compound.
Amylmetacresol
Amylmetacresol Chemical Structure CAS No.: 1300-94-3
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1g
Other Sizes
Official Supplier of:
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Product Description
Amylmetacresol is an antiviral (eg HIV virus) compound. Amylmetacresol has potential in sore throat research.
Biological Activity I Assay Protocols (From Reference)
ADME/Pharmacokinetics
Absorption, Distribution and Excretion
Absorption is rapid, and excretion is rapid.
Additional Infomation
Pentyl-m-cresol is a phenolic compound with a structure similar to m-cresol, but with an pentyl group substituted at the 6-position. It is an antibacterial agent with similar functions to m-cresol. Pentyl-m-cresol is an over-the-counter antibacterial agent available in Canada in various lozenges for the treatment of sore throat and minor oral infections. Pentyl-m-cresol is often formulated with dichlorobenzyl alcohol and menthol in common sore throat lozenges, such as Strepsils. Acute sore throat (pharyngitis) is one of the most common conditions seen in children at primary care facilities. Pharyngitis is usually caused by a virus, is generally benign, and self-limiting. Clinically proven over-the-counter throat lozenges provide rapid and effective relief of acute sore throat symptoms and are playing an increasingly important role in the treatment of this condition. Indications: Sore throat, mild oral and throat infections… Mechanism of Action: Its antiviral mechanism is not fully understood, but studies suggest it may work by denaturing viral external protein spikes, pH-induced rearrangement of attachment proteins' tertiary structure, or selectively acting on the viral lipid membrane/protein-lipid interactions. Pentocresol is an antibacterial and antiviral drug that blocks voltage-gated sodium channels in a manner similar to local anesthetics. Pharmacodynamics: Pentocresol throat lozenges significantly reduce the infectivity of certain infectious viruses in the throat and cough droplets, thereby reducing the chance of human-to-human transmission. It also relieves sore throat/throat irritation symptoms. Pentocresol is believed to inhibit inflammatory and pain mediators involved in oral and throat mucosal inflammation and sore throat.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C12H18O
Molecular Weight
178.27072
Exact Mass
178.136
CAS #
1300-94-3
PubChem CID
14759
Appearance
Light yellow to yellow liquid(Density:0.9414 g/cm3)
Density
0.955g/cm3
Boiling Point
273.2ºC at 760 mmHg
Melting Point
24°C
Flash Point
125.3ºC
Vapour Pressure
0.00348mmHg at 25°C
Index of Refraction
1.516
LogP
3.433
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Heavy Atom Count
13
Complexity
133
Defined Atom Stereocenter Count
0
SMILES
CCCCCC1=C(C=C(C)C=C1)O
InChi Key
CKGWFZQGEQJZIL-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3
Chemical Name
5-methyl-2-pentylphenol
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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.
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 : ~100 mg/mL (~560.95 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.02 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 25.0 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: 2.5 mg/mL (14.02 mM) 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; with ultrasonication.
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 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: ≥ 2.5 mg/mL (14.02 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 5.6095 mL 28.0473 mL 56.0947 mL
5 mM 1.1219 mL 5.6095 mL 11.2189 mL
10 mM 0.5609 mL 2.8047 mL 5.6095 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.

Clinical Trial Information
NCT Number Recruitment interventions Conditions Sponsor/Collaborators Start Date Phases
NCT03944655 COMPLETED Drug: Strepsils Anaesthetic Formula
Dietary Supplement: Clear Mint Drops
Post Operative Sore Throat
Sore Throat
Dr Sebastian Sundaraj 2019-01-17 Not Applicable
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