| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Ki: 74.4 nM (ENO2), 269.4 nM (ENO1)[1].
Human Enolase 2 (ENO2, Ki 74.4 nM), Human Enolase 1 (ENO1, Ki 269.4 nM), NfENO (IC50 0.14 microM), TbENO (IC50 2.1 microM) |
|---|---|
| ln Vitro |
In vitro, Hex is a potent enolase inhibitor. It inhibits human ENO2 with a Ki of 74.4 nM and human ENO1 with a Ki of 269.4 nM. It also inhibits pathogen-associated enolases NfENO (Naegleria fowleri enolase) with an IC50 of 0.14 microM and TbENO (Trypanosoma brucei enolase) with an IC50 of 2.1 microM. It has anti-malarial activity against the Plasmodium falciparum 3D7 strain, anti-amoebic activity against Naegleria fowleri trophozoites, and anti-malarial activity against Plasmodium berghei ANKA strain. It also shows anti-tumor efficacy against intracranial tumors.
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| ln Vivo |
No specific in vivo data for Hex in the provided search results, though the description mentions it has anti-malarial effects against Plasmodium berghei ANKA (in vivo mouse model of malaria) and anti-tumor efficacy against intracranial tumors (likely in mouse xenograft models). Thus, in vivo activity is implied. In vivo studies would involve administration to mice infected with P. berghei or mice bearing orthotopic brain tumors.
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| Enzyme Assay |
Recombinant human enolase isoforms (ENO1, ENO2) and pathogen enolases (NfENO, TbENO) are expressed in E. coli and purified. The enolase activity assay measures the conversion of 2-phosphoglycerate (2-PG) to phosphoenolpyruvate (PEP). The reaction mixture contains Tris-HCl buffer (pH 7.4), MgSO4, KCl, 2-PG (1-5 mM), and varying concentrations of Hex (0.1-1000 nM). The reaction is initiated by adding the enzyme. The increase in absorbance at 240 nm (PEP formation) is monitored for 5-10 minutes. Ki values are calculated using Lineweaver-Burk or Dixon plots (74.4 nM for ENO2, 269.4 nM for ENO1). For IC50 determinations (e.g., for NfENO, IC50 0.14 microM), a fixed substrate concentration is used.
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| Cell Assay |
Human cancer cell lines (e.g., glioma, neuroblastoma) are cultured in DMEM with 10% FBS. Cells are treated with Hex (0.01-100 uM) for 24-72 hours. Cell viability is assessed by MTT. For anti-malarial assays, Plasmodium falciparum 3D7 strain is cultured in human red blood cells. Hex is added at varying concentrations (0.1-100 uM), and parasite growth is assessed by [3H]hypoxanthine incorporation or SYBR Green I fluorescence. IC50 values can be determined. For Naegleria fowleri trophozoites, cells are cultured in axenic medium and treated with Hex, and viability is assessed by MTT or counting.
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| Animal Protocol |
No specific in vivo animal study protocol for Hex is provided. For malaria studies, Swiss mice or BALB/c mice are infected with Plasmodium berghei ANKA strain (e.g., 1x10⁶ infected red blood cells, i.p.). Hex is administered orally or intraperitoneally at doses of 1-50 mg/kg daily for 4-7 days. Parasitemia is monitored by Giemsa-stained blood smears. For intracranial tumor studies, mice are orthotopically implanted with glioma cells (e.g., GL261) into the striatum. Hex is administered i.p. or p.o., and tumor growth is assessed by bioluminescence imaging or survival time.
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| ADME/Pharmacokinetics |
No specific PK data for Hex. The compound has a very small molecular weight (195.11), which suggests it may have high bioavailability and rapid distribution. It is a phosphorylated organic compound (C5H10NO5P), which may affect membrane permeability. Detailed PK parameters (Cmax, Tmax, AUC, half-life) are not available. Solubility: DMSO likely. The compound is described as a "viscous liquid". For in vivo formulation, it may be dissolved in saline or PBS.
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| Toxicity/Toxicokinetics |
No specific toxicity data for Hex. As an enolase inhibitor, it targets a key glycolytic enzyme. Enolase is essential for energy metabolism, so broad inhibition could lead to systemic toxicity (e.g., hemolytic anemia, CNS effects). However, the compound's selectivity for pathogen enolase over human enolase may reduce toxicity. In vitro, it shows anti-tumor activity, but no normal cell toxicity data is provided. For research use, handle with standard precautions.
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| References | |
| Additional Infomation |
Hex (CAS: 2004714-32-1) is a potent, small-molecule enolase inhibitor with anti-malarial and anti-tumor activities. It is also known as (2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid (according to some sources). The compound is a multifunctional agent that inhibits human enolase isoforms (ENO1, ENO2) and pathogen enolases (NfENO, TbENO). It has potential for research into infectious diseases (malaria, amoebic meningoencephalitis) and cancer (particularly glioblastoma). It is not approved for clinical use. Molecular formula: C5H10NO5P? (needs verification). For research use only. References: Discovery of hex as enolase inhibitor.
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| Molecular Formula |
C5H10NO5P
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|---|---|
| Molecular Weight |
195.11
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| Exact Mass |
195.029
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| CAS # |
2004714-32-1
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| Related CAS # |
POMHEX;2004714-34-3
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| PubChem CID |
122540907
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| Appearance |
Brown to reddish brown viscous liquid
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
486.8±55.0 °C at 760 mmHg
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| Flash Point |
248.2±31.5 °C
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| Vapour Pressure |
0.0±2.6 mmHg at 25°C
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| Index of Refraction |
1.577
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| LogP |
-3.5
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
12
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| Complexity |
236
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| Defined Atom Stereocenter Count |
0
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| SMILES |
P(C1C(N(CCC1)O)=O)(=O)(O)O
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| InChi Key |
DVZQUMSQEGOYMX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)
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| Chemical Name |
(1-hydroxy-2-oxopiperidin-3-yl)phosphonic acid
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: 100 mg/mL (512.53 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (10.66 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (10.66 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (10.66 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.1253 mL | 25.6266 mL | 51.2531 mL | |
| 5 mM | 1.0251 mL | 5.1253 mL | 10.2506 mL | |
| 10 mM | 0.5125 mL | 2.5627 mL | 5.1253 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.
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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