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KHK-IN-2

Name: KHK-IN-2
Brand: TargetMol
SKU: T11757
Price: 113 USD
Availability: InStock
Rating: 5 (10 reviews)

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Catalog No. T11757Cas No. 2135304-43-5

KHK-IN-2 is a selective inhibitor of ketohexokinase with an IC50 value of 0.45 μM.

KHK-IN-2

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Purity: 99.91%

Catalog No. T11757Cas No. 2135304-43-5

KHK-IN-2 is a selective inhibitor of ketohexokinase with an IC50 value of 0.45 μM.

Pack Size	Price	USA Warehouse	Global Warehouse
5 mg	$30	In Stock	In Stock
10 mg	$53	In Stock	In Stock
25 mg	$113	In Stock	In Stock
50 mg	Preferential	In Stock	In Stock
100 mg	Preferential	In Stock	In Stock
1 mL x 10 mM (in DMSO)	$31	In Stock	In Stock

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In Stock Estimated shipping dateUSA Warehouse[1-2 days] Global Warehouse[5-7 days]

This molecule is a custom-made product. TargetMol has an excellent synthesis team with the experience and capability to provide you with cost-effective products.If you have any questions, please feel free to contact us. We are committed to serving you wholeheartedly.

All TargetMol products are for research purposes only and cannot be used for human consumption. We do not provide products or services to individuals. Please comply with the intended use and do not use TargetMol products for any other purpose.

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Batch Information

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Purity:99.91%

Appearance:Solid

Color:White

Resource Download

COA HNMR LCMS

Product Introduction

KHK-IN-2 AI Summary

KHK-IN-2 exhibits bioactivity as an inhibitor of both human and rat Ketohexokinase (KHK) enzymes, including the recombinant human N-terminal His-tagged KHK-C enzyme, with IC50 values ranging from 316.23 nM to 501.19 nM. In in vivo studies with Sprague-Dawley rats, it demonstrates a dose-dependent decrease in fructose-1-phosphate (F1P) levels in the kidney and liver, with ED50 values of 15.7 mg/kg and 30.0 mg/kg, respectively. The compound has good oral bioavailability in rats (F = 45%) at a dose of 5 mg/kg and exhibits moderate to low apparent clearance values in both human and rat liver microsomes. It has a lipophilicity of LogD = 2.2 at pH 7.4, low apparent intrinsic clearance in human liver microsomes (CL < 13.0 mL·min^-1·g^-1), and moderate apparent permeability in MDCK-II cells (Papp = 3.5 x 10^-6 cm/s)..

Note: Summary generated by AI. Data source: ChEMBL

Bioactivity

Description	KHK-IN-2 is a selective inhibitor of ketohexokinase with an IC50 value of 0.45 μM.
Targets&IC50	KHK:0.45 μM

Chemical Properties

Molecular Weight	372.34
Formula	C₁₆H₁₉F₃N₄O₃
Cas No.	2135304-43-5
Smiles	C[C@]1(O)CCN(C1)c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H](O)[C@@H](O)C1
Relative Density.	1.55 g/cm3 (Predicted)

Storage & Solubility Information

Storage

Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.

Solubility Information

DMSO: 200 mg/mL (537.14 mM), Sonication is recommended.

In Vivo Formulation

10% DMSO+40% PEG300+5% Tween 80+45% Saline: 5 mg/mL (13.43 mM), Sonication is recommended.

Please add the solvents sequentially, clarifying the solution as much as possible before adding the next one. Dissolve by heating and/or sonication if necessary. Working solution is recommended to be prepared and used immediately. The formulation provided above is for reference purposes only. In vivo formulations may vary and should be modified based on specific experimental conditions.

Solution Preparation Table

DMSO

	1mg	5mg	10mg	50mg
1 mM	2.6857 mL	13.4286 mL	26.8572 mL	134.2859 mL
5 mM	0.5371 mL	2.6857 mL	5.3714 mL	26.8572 mL
10 mM	0.2686 mL	1.3429 mL	2.6857 mL	13.4286 mL
20 mM	0.1343 mL	0.6714 mL	1.3429 mL	6.7143 mL
50 mM	0.0537 mL	0.2686 mL	0.5371 mL	2.6857 mL
100 mM	0.0269 mL	0.1343 mL	0.2686 mL	1.3429 mL

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In Vivo Formulation Calculator (Clear solution)

Please enter your animal experiment information in the following box and click Calculate to obtain the stock solution preparation method and in vivo formula preparation method:

For example, if the intended dosage is 10 mg/kg for animals weighing 20 g , with a dosing volume of 100 μL per animal, TargetMol | Animal experiments

and a total of 10 animals are to be administered, using a formulation of TargetMol | reagent

10% DMSO+ 40% PEG300+ 5% Tween 80+ 45% Saline/PBS/ddH₂O , the resulting working solution concentration would be 2 mg/mL.

Stock Solution Preparation:

Dissolve 2 mg of the compound in 100 μL DMSO TargetMol | reagent to obtain a stock solution at a concentration of 20 mg/mL . If the required concentration exceeds the compound's known solubility, please contact us for technical support before proceeding.

Preparation of the In Vivo Formulation:

1) Add 100 μL of the DMSO TargetMol | reagent stock solution to 400 μL PEG300 and mix thoroughly until the solution becomes clear.

2) Add 50 μL Tween 80 and mix well until fully clarified.

3) Add 450 μL Saline,PBS or ddH₂O TargetMol | reagent and mix thoroughly until a homogeneous solution is obtained.

This example is provided solely to demonstrate the use of the In Vivo Formulation Calculator and does not constitute a recommended formulation for any specific compound. Please select an appropriate dissolution and formulation strategy based on your experimental model and route of administration.

All co-solvents required for this protocol, includingDMSO, PEG300/PEG400, Tween 80, SBE-β-CD, and Corn oil, are available for purchase on the TargetMol website.

Dose Conversion

You can also refer to dose conversion for different animals. More Dose Conversion

Tech Support

Please see Inhibitor Handling Instructions for more frequently ask questions. Topics include: how to prepare stock solutions, how to store products, and cautions on cell-based assays & animal experiments, etc