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> Quilseconazole [1340593-70-5]

Quilseconazole [1340593-70-5]

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Cat# HY-109040-10mg

Size : 10mg

Brand : MedChemExpress


Quilseconazole (VT-1129) is a potent, orally active fungal Cyp51 (lanosterol 14-α-demethylase) inhibitor, binds tightly to cryptococcal CYP51, but weakly inhibits humans CYP450 enzymes.

For research use only. We do not sell to patients.

Quilseconazole Chemical Structure

Quilseconazole Chemical Structure

CAS No. : 1340593-70-5

This product is a controlled substance and not for sale in your territory.

Based on 1 publication(s) in Google Scholar

View All Cytochrome P450 Isoform Specific Products:

View All Isoforms
CYP1 CYP2 CYP3 CYP4 CYP11 CYP17 Aromatase/CYP19A1 CYP26 CYP51 CYP2D6 CYP2C9 CYP2C19 CYP3A4 CYP17A1
Description

Quilseconazole (VT-1129) is a potent, orally active fungal Cyp51 (lanosterol 14-α-demethylase) inhibitor, binds tightly to cryptococcal CYP51, but weakly inhibits humans CYP450 enzymes[1].

IC50 & Target

CYP51

 

Molecular Weight

513.37

Formula

C22H14F7N5O2
CAS No.

1340593-70-5
Appearance

Solid

Color

White to off-white

SMILES

O[C@@](CN1C=NN=N1)(C(C=CC(F)=C2)=C2F)C(F)(C3=CC=C(C4=CC=C(OC(F)(F)F)C=C4)C=N3)F
Shipping

Room temperature in continental US; may vary elsewhere.
Storage
Powder -20°C 3 years
4°C 2 years
In solvent -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 100 mg/mL (194.79 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 1.9479 mL 9.7396 mL 19.4791 mL
5 mM 0.3896 mL 1.9479 mL 3.8958 mL
View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

  • Molarity Calculator

  • Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass
=
Concentration
×
Volume
×
Molecular Weight *

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

C1

×
Volume (start)

V1

=
Concentration (final)

C2

×
Volume (final)

V2

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

  • Protocol 1

    Add each solvent one by one:  10% DMSO    40% PEG300    5% Tween-80    45% Saline

    Solubility: ≥ 2.5 mg/mL (4.87 mM); Clear solution

    This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

    Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
  • Protocol 2

    Add each solvent one by one:  10% DMSO    90% Corn Oil

    Solubility: ≥ 2.5 mg/mL (4.87 mM); Clear solution

    This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

g

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
%
DMSO +
% 
+
%
Tween-80 +
%
Saline
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Calculation results:
Working solution concentration: mg/mL
Method for preparing stock solution: mg drug dissolved in μL  DMSO (Stock solution concentration: mg/mL).
The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).
Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.
 If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation

Purity: 98.98%

COA (249 KB) HNMR (276 KB) LCMS (92 KB)

Handling Instructions (2659 KB)
References

  • [1]. Lockhart SR, et al. The Investigational Fungal Cyp51 Inhibitor VT-1129 Demonstrates Potent In Vitro Activity against Cryptococcus neoformans and Cryptococcus gattii. Antimicrob Agents Chemother. 2016 Mar 25;60(4):2528-31.  [Content Brief]

  • [1]. Lockhart SR, et al. The Investigational Fungal Cyp51 Inhibitor VT-1129 Demonstrates Potent In Vitro Activity against Cryptococcus neoformans and Cryptococcus gattii. Antimicrob Agents Chemother. 2016 Mar 25;60(4):2528-31.

Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 1.9479 mL 9.7396 mL 19.4791 mL 48.6978 mL
5 mM 0.3896 mL 1.9479 mL 3.8958 mL 9.7396 mL
10 mM 0.1948 mL 0.9740 mL 1.9479 mL 4.8698 mL
15 mM 0.1299 mL 0.6493 mL 1.2986 mL 3.2465 mL
20 mM 0.0974 mL 0.4870 mL 0.9740 mL 2.4349 mL
25 mM 0.0779 mL 0.3896 mL 0.7792 mL 1.9479 mL
30 mM 0.0649 mL 0.3247 mL 0.6493 mL 1.6233 mL
40 mM 0.0487 mL 0.2435 mL 0.4870 mL 1.2174 mL
50 mM 0.0390 mL 0.1948 mL 0.3896 mL 0.9740 mL
60 mM 0.0325 mL 0.1623 mL 0.3247 mL 0.8116 mL
80 mM 0.0243 mL 0.1217 mL 0.2435 mL 0.6087 mL
100 mM 0.0195 mL 0.0974 mL 0.1948 mL 0.4870 mL
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Quilseconazole Related Classifications

  • Anti-infection Metabolic Enzyme/Protease
  • Fungal Cytochrome P450
Help & FAQs

Keywords:

Quilseconazole1340593-70-5VT-1129VT1129VT 1129FungalCytochrome P450CYPsInhibitorinhibitorinhibit