Chitin synthase inhibitor 8

Cat. No.: HY-151418 Purity: 98.60%: Data Sheet
COA

SDS
Handling Instructions
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Chitin synthase inhibitor 8 is a chitin synthase (CHS) inhibitor with broad-spectrum antifungal activity. Chitin synthase inhibitor 8 can be used in the research of fungi infection.

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

Chitin synthase inhibitor 8 Chemical Structure

CAS No. : 3033645-31-4

Size	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	In-stock	Estimated Time of Arrival: December 31
10 mg	In-stock	Estimated Time of Arrival: December 31
25 mg	In-stock	Estimated Time of Arrival: December 31
50 mg	In-stock	Estimated Time of Arrival: December 31
100 mg	In-stock	Estimated Time of Arrival: December 31
200 mg	Get quote
500 mg	Get quote

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Biological Activity
Purity & Documentation
References
Customer Review

Description

Chitin synthase inhibitor 8 is a chitin synthase (CHS) inhibitor with broad-spectrum antifungal activity. Chitin synthase inhibitor 8 can be used in the research of fungi infection^[1].

IC₅₀ & Target

Chitin synthase^[1]

In Vitro

Chitin synthase inhibitor 8 (compound 9d, 300 μg/mL) inhibits chitin synthase (CHS) by 69%^[1].
Chitin synthase inhibitor 8 (0.0625-0.25 μM, 24 h) shows antifungal activities^[1].
Chitin synthase inhibitor 8 (32 μg/mL, 24 h) shows strong synergistic effect against A. fumigatus when combinated with Fluconazole (HY-10219) ^[1].

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

Cell Viability Assay^[1]

Cell Line:	C. albicans, A. flavus, A. fumigatus, C. neoformans
Concentration:	1-512 μg/mL
Incubation Time:	24 h
Result:	Inhibited four fungi with IC₅₀ value of 64, 53.33, 15.08, 64 μg/mL respectively.

Molecular Weight

421.45

Formula

C₂₃H₂₃N₃O₅

CAS No.

3033645-31-4

Appearance

Solid

Color

Light yellow to light brown

SMILES

O=C(NC1=CC=CC=C1)/C=C/C(N2CCC3(CC2)C4=CC(OC)=CC=C4NC(O3)=O)=O

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 (237.28 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	2.3728 mL	11.8638 mL	23.7276 mL
5 mM	0.4746 mL	2.3728 mL	4.7455 mL
10 mM	0.2373 mL	1.1864 mL	2.3728 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)

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: ≥ 5 mg/mL (11.86 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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: ≥ 5 mg/mL (11.86 mM); Clear solution

This protocol yields a clear solution of ≥ 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 (50.0 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

Purity: 98.60%

Select Batch:

Data Sheet (273 KB) SDS (252 KB)

COA (249 KB) HNMR (150 KB) RP-HPLC (251 KB) LCMS (239 KB)

Handling Instructions (2659 KB)

References

[1]. Yajie Xu, et al. Spiro[benzoxazine-piperidin]-one derivatives as chitin synthase inhibitors and antifungal agents: Design, synthesis and biological evaluation. Eur J Med Chem. 2022 Aug 31;243:114723. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	2.3728 mL	11.8638 mL	23.7276 mL	59.3190 mL
	5 mM	0.4746 mL	2.3728 mL	4.7455 mL	11.8638 mL
	10 mM	0.2373 mL	1.1864 mL	2.3728 mL	5.9319 mL
	15 mM	0.1582 mL	0.7909 mL	1.5818 mL	3.9546 mL
	20 mM	0.1186 mL	0.5932 mL	1.1864 mL	2.9660 mL
	25 mM	0.0949 mL	0.4746 mL	0.9491 mL	2.3728 mL
	30 mM	0.0791 mL	0.3955 mL	0.7909 mL	1.9773 mL
	40 mM	0.0593 mL	0.2966 mL	0.5932 mL	1.4830 mL
	50 mM	0.0475 mL	0.2373 mL	0.4746 mL	1.1864 mL
	60 mM	0.0395 mL	0.1977 mL	0.3955 mL	0.9887 mL
	80 mM	0.0297 mL	0.1483 mL	0.2966 mL	0.7415 mL
	100 mM	0.0237 mL	0.1186 mL	0.2373 mL	0.5932 mL