HK2-IN-4
Based on 1 Customer Validation
HK2-IN-4 is a selective hexokinase 2 (HK2) inhibitor with an IC50 value of 0.79 μM and a Kd value of 0.41 μM. HK2-IN-4 blocks the interaction between HK2 and voltage-dependent anion channel 1 (VDAC1). HK2-IN-4 reduces lactate and ATP levels in cancer cells. HK2-IN-4 induces the production of apoptosis (apoptosis) markers in cancer cells, including increased p-AMPK/AMPK ratio and Bax levels, as well as decreased Bcl2 levels. HK2-IN-4 inhibits the proliferation of cancer cells with high HK2 expression. HK2-IN-4 can be used in research related to colorectal cancer and non-small cell lung cancer.
For research use only. We do not sell to patients.
- CAS No.: 2748366-80-3
- Formula: C24H25NO4
- Molecular Weight:391.46
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Storage:
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
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Biological Activity
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VDAC1 |
HK2-IN-4 (Compound 106) (5 μM; 30 min) potently and selectively inhibits the activity of recombinant HK2 enzyme, with an IC50 of 0.79 μM, while its IC50 values against HK1, HK3 and HK4 are 78.47 μM, 60.86 μM and 46.14 μM, respectively[1].
HK2-IN-4 (10-100 μM; 24-72 h) selectively inhibits the viability of colorectal cancer cells with high HK2 expression (SW480, LOVO, HCT116), with an IC50 value as low as 5.00 μM after 72 h under hypoxic conditions; compared with normoxic conditions, its efficacy is enhanced under hypoxic conditions, and its cytotoxicity depends on HK2 expression[1].
HK2-IN-4 (0-40 μM; 6 h) reduces mitochondrial HK2 levels in HCT116 and SW480 cells in a dose-dependent manner under hypoxic conditions[1].
Treatment with HK2-IN-4 (50 μM; 7 h) significantly reduces the colocalization level of HK2 and VDAC1 in SW480 cells and disrupts the HK2-VDAC1 interaction[1].
HK2-IN-4 (50-100 μM; 2 h) inhibits glycolysis in SW480 and HCT116 WT cells under hypoxic conditions, but exerts no such effect on HK2 KO cells, indicating that its glycolysis-inhibiting effect is HK2-dependent[1].
HK2-IN-4 (2.5-20 μM; 12-24 h) reduces lactate and ATP levels in hypoxic SW480 colorectal cancer cells in a dose-dependent manner, increases the p-AMPK/AMPK ratio, regulates the expression levels of Bax/Bcl2, and induces bioenergetic stress and apoptosis[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:human cancer cell lines (6 NSCLC cell lines: NCI-H1299, NCI-H1975, SK-LU-1, A549, NCI-H2122, NCI-H460; 3 colorectal cancer cell lines: HCT116, LOVO, SW480; HK2 knockout and wild-type SW480, HCT116 cells)
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Concentration:10 μM, 100 μM (24 h treatment for NCI-H1975)
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Incubation Time:24 h (NCI-H1975); 72 h (IC50 determination under normoxia and hypoxia); 48 h (CoCl2 pre-treatment for hypoxia induction)
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Result:Reduced NCI-H1975 cell viability by 4.66% at 10 μM and 93.19% at 100 μM after 24 h.
Exhibited 72 h IC50 values under hypoxia of 59.95 μM (NCI-H1299), 49.37 μM (NCI-H1975), 48.82 μM (NCI-H460), 48.39 μM (NCI-H2122), 49.67 μM (SK-LU-1), 44.8 μM (A549), 16.17 μM (HCT116), 11.11 μM (LOVO), and 5 μM (SW480).
Showed significantly lower IC50 values under hypoxia compared to normoxia: 16.17 μM vs.
43.33 μM (HCT116), 11.11 μM vs.
27.14 μM (LOVO), 5 μM vs.
14.33 μM (SW480).
Showed IC50 ratio of HK2 KO vs.
WT cells of 8.02 (HCT116) and 9.36 (SW480), indicating HK2 KO significantly rescued cells from cytotoxicity.
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Cell Line:HCT116 and SW480 colorectal cancer cells (under hypoxia)
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Concentration:20 μM, 30 μM, 40 μM (HCT116); 10 μM, 20 μM, 40 μM (SW480)
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Incubation Time:6 h
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Result:Decreased mitochondrial HK2 levels in a dose-dependent manner in both HCT116 and SW480 cells.
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Cell Line:SW480 cells co-transfected with HK2-GFP and VDAC1-mCherry plasmids
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Concentration:50 μM
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Incubation Time:7 h (imaging every 15 min)
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Result:Reduced the colocalization coefficient of HK2-GFP and VDAC1-mCherry significantly from the 17th time point (4 h post-treatment) onward, with increasing significance at later time points.
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Cell Line:SW480 colorectal cancer cells under hypoxia
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Concentration:2.5 μM, 5 μM, 10 μM
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Incubation Time:24 h
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Result:Increased the p-AMPK/AMPK ratio, elevated Bax levels, and decreased Bcl2 levels in a dose-dependent manner.
Chemical Information
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CAS No. 2748366-80-3
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Appearance Solid
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Molecular Weight 391.46
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Formula C24H25NO4
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SMILES
O=C(C1=CC=CC=C1)OC(C2)C=C[C@]3(C2O4)C5=C4C(OC)=CC=C5CN(C)CC3
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
Solvent & Solubility
DMSO : 100 mg/mL (255.45 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
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 (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
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 (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
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.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (6.39 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.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (6.39 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 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
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).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL. * In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
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
References
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 (protect from light). 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 | 2.5545 mL | 12.7727 mL | 25.5454 mL | 63.8635 mL |
| 5 mM | 0.5109 mL | 2.5545 mL | 5.1091 mL | 12.7727 mL | |
| 10 mM | 0.2555 mL | 1.2773 mL | 2.5545 mL | 6.3863 mL | |
| 15 mM | 0.1703 mL | 0.8515 mL | 1.7030 mL | 4.2576 mL | |
| 20 mM | 0.1277 mL | 0.6386 mL | 1.2773 mL | 3.1932 mL | |
| 25 mM | 0.1022 mL | 0.5109 mL | 1.0218 mL | 2.5545 mL | |
| 30 mM | 0.0852 mL | 0.4258 mL | 0.8515 mL | 2.1288 mL | |
| 40 mM | 0.0639 mL | 0.3193 mL | 0.6386 mL | 1.5966 mL | |
| 50 mM | 0.0511 mL | 0.2555 mL | 0.5109 mL | 1.2773 mL | |
| 60 mM | 0.0426 mL | 0.2129 mL | 0.4258 mL | 1.0644 mL | |
| 80 mM | 0.0319 mL | 0.1597 mL | 0.3193 mL | 0.7983 mL | |
| 100 mM | 0.0255 mL | 0.1277 mL | 0.2555 mL | 0.6386 mL |
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