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Neticonazole HCl

Cat No.:V38229 Purity: ≥98%
Neticonazole HCl is an imidazole analogue and a potent and long-acting antifungal compound/agent.
Neticonazole HCl
Neticonazole HCl Chemical Structure CAS No.: 130773-02-3
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
50mg
100mg
Other Sizes

Other Forms of Neticonazole HCl:

  • Neticonazole
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
Neticonazole HCl is an imidazole analogue and a potent and long-acting antifungal compound/agent. Neticonazole HCl has anti-infectious and anti-cancer effects.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
Treatment with neticonazole (10 μM; 48 h) decreased the levels of Alix and Rab27a and markedly decreased the levels of nSMase2. Significant p-ERK level inhibition is possible with neticonazole [2]. Exosome release from C4-2B cells is potently and dose-dependently inhibited by neticonazole (0–10 μM) [2]. Additionally, neticonazole has an aqueous solution-dependent, biogenic wound-active exosome [3].
ln Vivo
Neticonazole hydrochloride treatment (1–100 ng/kg; lateral wall tube feeding; once daily; C57BL/6 mice; formulated) increased the contaminating bacterial flora (IDB) cleanup in rats with rectal cancer (CRC) considerably. Tumor xenograft
Cell Assay
Western Blot Analysis[2]
Cell Types: C4 -2B Cell
Tested Concentrations: 10 µM
Incubation Duration: 48 hrs (hours)
Experimental Results: diminished Alix and Rab27a levels, and Dramatically diminished nSMase2 levels.
Animal Protocol
Animal/Disease Models: Male C57BL/6 mice (8 weeks old) were given ampicillin, neomycin, metronidazole and vancomycin, and injected with SW480 cells [3].
Doses: 1 ng/kg, 10 ng/kg, and 100 ng/kg
Route of Administration: po (oral gavage); daily; for 15 days
Experimental Results: Dramatically improved survival of IDB mice with CRC xenograft tumors.
References

[1]. Hyperkeratotic chronic tinea pedis treated with neticonazole cream. Neticonazole Study Group. Int J Dermatol. 1996 May;35(5):371-3.

[2]. High-throughput screening identified selective inhibitors of exosome biogenesis and secretion: A drug repurposing strategy for advanced cancer. Sci Rep. 2018 May 25;8(1):8161.

[3]. The exosome secretion inhibitor neticonazole suppresses intestinal dysbacteriosis-induced tumorigenesis of colorectal cancer. Invest New Drugs. 2020 Apr;38(2):221-228.

Additional Infomation
Neticonazole hydrochloride is a hydrochloride resulting from the formal reaction of equimolar amounts of neticonazole and hydrogen chloride. An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan as an antifungal drug for the treatment of superficial skin infections. It has a role as an antifungal drug and an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor. It is a hydrochloride, an imidazole antifungal drug and a conazole antifungal drug. It contains a neticonazole(1+).
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C17H22N2OS.HCL
Molecular Weight
338.8953
Exact Mass
338.122
CAS #
130773-02-3
Related CAS #
Neticonazole;130726-68-0
PubChem CID
5282432
Appearance
White to off-white solid powder
Density
1.06g/cm3
Boiling Point
464ºC at 760mmHg
Flash Point
234.4ºC
Vapour Pressure
8.66E-09mmHg at 25°C
LogP
5.463
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
8
Heavy Atom Count
22
Complexity
322
Defined Atom Stereocenter Count
0
SMILES
CCCCCOC1=CC=CC=C1/C(=C\SC)/N2C=CN=C2.Cl
InChi Key
HAHMABKERDVYCH-ZUQRMPMESA-N
InChi Code
InChI=1S/C17H22N2OS.ClH/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19;/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3;1H/b16-13+;
Chemical Name
1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole;hydrochloride
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, 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 : ~250 mg/mL (~737.68 mM)
H2O : ≥ 100 mg/mL (~295.07 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 6.25 mg/mL (18.44 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 62.5 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: ≥ 6.25 mg/mL (18.44 mM) (saturation unknown) 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.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 62.5 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: ≥ 6.25 mg/mL (18.44 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 62.5 mg/mL clear DMSO stock solution to 900 μL corn oil and mix evenly.


Solubility in Formulation 4: 100 mg/mL (295.07 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.9507 mL 14.7536 mL 29.5072 mL
5 mM 0.5901 mL 2.9507 mL 5.9014 mL
10 mM 0.2951 mL 1.4754 mL 2.9507 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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