VT-1598 tosylate

Cat. No.: HY-123777A: FAQs
Data Sheet Handling Instructions

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VT-1598 tosylate is an orally active and selective fungal inhibitor targeting CYP51. VT-1598 tosylate shows anti-fungal activity against C. auris. VT-1598 (tosylate) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

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VT-1598 tosylate Chemical Structure

CAS No. : 2089321-00-4

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•Related Small Molecules:

•Related Proteins:

View All Cytochrome P450 Isoform Specific Products:

View All Isoforms

CYP1 CYP2 CYP3 CYP4 CYP11 CYP17 Aromatase/CYP19A1 CYP26 CYP51 CYP1A2 CYP2D6 CYP2C9 CYP2C19 CYP3A4 CYP17A1

Biological Activity
Purity & Documentation
References
Customer Review

Description

VT-1598 tosylate is an orally active and selective fungal inhibitor targeting CYP51. VT-1598 tosylate shows anti-fungal activity against C. auris^[1]^[2]. VT-1598 (tosylate) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

IC₅₀ & Target

CYP51^[1]

In Vitro

VT-1598 tosylate (0.015-8 μg/mL; 24 h) demonstrates in vitro activity against C. auris^[1].
VT-1598 tosylate (0.03125-0.125 μg/mL; 24 h) shows highly effects in inhibiting the in vitro growth of clinical Candida isolates^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

VT-1598 tosylate (oral gavage; 5, 15, and 50 mg/kg; once daily; 7 d) shows a significant and dose-dependent survival advantage for mice, and dose-dependent reductions in fungal burden in mice^[1].
VT-1598 tosylate (oral gavage; 3.2, 8, and 20 mg/kg; once daily; 4 d) is present to a great extent in the plasma and tongue after oral administration in Act1-deficient mice infected with C. albicans^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:	Mice model of invasive candidiasis^[1]
Dosage:	5 mg/kg, 15 mg/kg, and 50 mg/kg
Administration:	Oral gavage; once daily; 7 days
Result:	Observed median survival in the VT-1598 15 mg/kg and 50 mg/kg groups (15 days and >21 days, respectively) longer than the control group. Observed kidney fungal burden in mice treated with 15 mg/kg and 50 mg/kg doses (mean log₁₀ CFU/g, 5.40 and 3.67, respectively) lower than the vehicle control group. Showed mean trough concentrations 1.55 μg/mL after 7 days of therapy in the 5 mg/kg group, 6.78 μg/mL in the 15 mg/kg group, and 14.2 μg/mL in the 50 mg/kg group.

Animal Model:	Act1-deficient mice infected with C. albicans^[2]
Dosage:	3.2, 8, and 20 mg/kg
Administration:	Oral gavage; once daily; 4 days
Result:	Resulted in high concentrations in the plasma and tongues of Candida-infected mice.

Clinical Trial

Molecular Weight

756.72

Formula

C₃₈H₂₈F₄N₆O₅S

CAS No.

2089321-00-4

SMILES

O=S(O)(C1=CC=C(C=C1)C)=O.FC(F)(C2=CC=C(C=N2)C#CC3=CC=C(C=C3)OCC4=CC=C(C=C4)C#N)[C@@](O)(C5=C(C=C(C=C5)F)F)CN6C=NN=N6

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Solvent & Solubility

In Vitro:

DMSO : 150 mg/mL (198.22 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	1.3215 mL	6.6075 mL	13.2149 mL
5 mM	0.2643 mL	1.3215 mL	2.6430 mL
10 mM	0.1321 mL	0.6607 mL	1.3215 mL

View the Complete Stock Solution Preparation Table

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Dilution Calculator

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

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

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 (3.30 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 (3.30 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)

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

Handling Instructions (2659 KB)

References

[1]. Nathan P Wiederhold, et al. The Fungal Cyp51-Specific Inhibitor VT-1598 Demonstrates In Vitro and In Vivo Activity against Candida auris. Antimicrob Agents Chemother. 2019 Feb 26;63(3):e02233-18. [Content Brief]

[2]. Timothy J Break, et al. VT-1598 inhibits the in vitro growth of mucosal Candida strains and protects against fluconazole-susceptible and -resistant oral candidiasis in IL-17 signalling-deficient mice. J Antimicrob Chemother. 2018 Aug 1;73(8):2089-2094. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	1.3215 mL	6.6075 mL	13.2149 mL	33.0373 mL
	5 mM	0.2643 mL	1.3215 mL	2.6430 mL	6.6075 mL
	10 mM	0.1321 mL	0.6607 mL	1.3215 mL	3.3037 mL
	15 mM	0.0881 mL	0.4405 mL	0.8810 mL	2.2025 mL
	20 mM	0.0661 mL	0.3304 mL	0.6607 mL	1.6519 mL
	25 mM	0.0529 mL	0.2643 mL	0.5286 mL	1.3215 mL
	30 mM	0.0440 mL	0.2202 mL	0.4405 mL	1.1012 mL
	40 mM	0.0330 mL	0.1652 mL	0.3304 mL	0.8259 mL
	50 mM	0.0264 mL	0.1321 mL	0.2643 mL	0.6607 mL
	60 mM	0.0220 mL	0.1101 mL	0.2202 mL	0.5506 mL
	80 mM	0.0165 mL	0.0826 mL	0.1652 mL	0.4130 mL
	100 mM	0.0132 mL	0.0661 mL	0.1321 mL	0.3304 mL

VT-1598 tosylate Related Classifications

Infection

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

VT-15982089321-00-4VT1598VT 1598Cytochrome P450CYPsCYP51C. albicansInhibitorinhibitorinhibit

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