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HK-2-IN-1

Cat No.:V137401 Purity: ≥98%
HK-2-IN-1 is a hexokinase 2 (HK-2) inhibitor.
HK-2-IN-1
HK-2-IN-1 Chemical Structure CAS No.: 3114833-48-3
Product category: Hexokinase
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
50mg
Other Sizes
Official Supplier of:
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Product Description
HK-2-IN-1 is a hexokinase 2 (HK-2) inhibitor. HK-2-IN-1 does not activate the human recombinant HK-2 enzyme. HK-2-IN-1 possesses antitumor activity and can affect immune cells in the tumor microenvironment. HK-2-IN-1 also has immunomodulatory effects and has potential applications in research on cancers such as colon cancer, liver cancer, and breast cancer.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
HK-2-IN-1 (compound 20) (50-1000 μM, 48 hours) showed cytotoxicity against HCT-116, HepG2, 4T1 and MCF7 cells, with IC50 values of 22.04 μM, 21.19 μM, 54.69 μM and 192.3 μM, respectively, and had no cytotoxic effect on healthy fibroblasts [1].
ln Vivo
HK-2-IN-1 (compound 20) (5 mg/kg, intraperitoneal injection, once daily for 4 weeks) inhibited tumor growth and metastasis in 4T1 tumor mice [1].
Animal Protocol
Animal/Disease Models:4T1 tumor cell xenograft BALB/c mouse model [1]
Doses: 5 mg/kg
Route of Administration: Intraperitoneal injection, once daily for 4 weeks
Experimental Results: Inhibited the growth and metastasis of 4T1 tumors; in 2 out of 4 mice treated with cyclophosphamide (CTX), the tumors almost completely regressed. Reduced tumor-infiltrating gMDSCs and increased the infiltration of CD8 T lymphocytes in the tumor.
References

[1]. Anti-cancer efficacy of novel lonidamine derivatives: Design, synthesis, in vitro, in vivo, and computational studies targeting hexokinase-2. Eur J Med Chem. 2025 Oct 15;296:117890.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C23H16CL2FN5
Molecular Weight
452.31
CAS #
3114833-48-3
Appearance
White to off-white solid
SMILES
ClC(C=C1Cl)=CC=C1CN(C2=CC(F)=CC=C23)N=C3C4=NC(CC5=CC=CC=C5)=NN4
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: 本产品在运输和储存过程中需避光(避免光照)。
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 : ~50 mg/mL (~110.54 mM; with sonication)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.53 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 canAdd 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.2109 mL 11.0544 mL 22.1087 mL
5 mM 0.4422 mL 2.2109 mL 4.4217 mL
10 mM 0.2211 mL 1.1054 mL 2.2109 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

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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?
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  • 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:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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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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