| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
HBED dihydrochloride targets iron, functioning as a hexadentate chelator that binds iron with high affinity and induces iron excretion. Iron is an essential element that plays a critical role in various physiological processes including oxygen transport, electron transfer, and DNA synthesis. However, excess iron can be toxic, leading to oxidative stress and organ damage. Iron chelators are used to treat iron overload disorders such as thalassemia, hemochromatosis, and myelodysplastic syndromes. The compound's phenolic aminocarboxylic acid structure provides multiple coordination sites that allow it to bind iron with high affinity and selectivity. Its oral bioavailability makes it a promising alternative to deferoxamine, which requires parenteral administration. The compound induces iron excretion in primates, demonstrating its efficacy in vivo. Its mechanism of action involves binding to excess iron in the body and facilitating its excretion through the urine and feces.
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| ln Vitro |
In vitro, HBED dihydrochloride is used as an iron chelator in biochemical research. The compound's ability to bind iron can be studied using various analytical techniques including UV-Vis spectroscopy, potentiometry, and mass spectrometry. Its iron-binding affinity and selectivity can be assessed by comparing its binding constants with those of other chelators. In cell culture, the compound may be used to study the effects of iron depletion on cellular processes including proliferation, differentiation, and oxidative stress. Its oral bioavailability makes it suitable for development as a therapeutic agent for iron overload disorders. The compound may also be used in studies of iron metabolism and homeostasis.
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| ln Vivo |
varied administration techniques result in varied activity from HBED monohydrochloride dihydrate. At dosages of 81, 162, and 324 μMol/kg, oral administration of HBED did not result in any significant effects. On the other hand, following subcutaneous delivery, dosages of 162 and 324 μMol/kg enhanced net iron excretion [1].
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| Cell Assay |
Cellular assays for HBED dihydrochloride involve treating cells with the compound and assessing its effects on iron levels, oxidative stress, and cell viability. Cells are treated with the compound at various concentrations, and intracellular iron levels are measured using colorimetric or fluorescent assays. Oxidative stress markers such as reactive oxygen species and lipid peroxidation are assessed. Cell viability is measured using MTT or similar assays. The compound's effects on iron-dependent cellular processes including proliferation, differentiation, and apoptosis are evaluated. These assays are used to study the compound's mechanism of action and its potential as an iron chelation therapy.
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| Animal Protocol |
Animal studies for HBED dihydrochloride have demonstrated that the compound induces iron excretion in primates. In these studies, the compound is typically administered orally to animals, and iron levels in urine and feces are measured. The compound's efficacy in reducing iron burden is assessed by measuring tissue iron levels in the liver, heart, and other organs. The compound's oral bioavailability and pharmacokinetic properties are also evaluated. In animal models of iron overload, the compound's ability to prevent or reverse iron-induced organ damage is assessed. These studies support the compound's potential as an alternative to deferoxamine in iron chelation therapy.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for HBED dihydrochloride indicate that it is orally bioactive. The compound is absorbed from the gastrointestinal tract and distributed to tissues where it binds iron. The compound induces iron excretion in primates, indicating that it is effective in vivo. Its pharmacokinetic properties make it a promising alternative to deferoxamine, which requires parenteral administration. However, comprehensive pharmacokinetic studies including absorption, distribution, metabolism, and excretion are limited. The compound's stability in solution has rarely been reported.
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| References | |
| Additional Infomation |
HBED dihydrochloride is a research chemical, not an approved drug. It has no clinical trial or marketing approval status for therapeutic use. The compound is an orally bioactive hexadentate phenolic aminocarboxylic acid iron chelator. It induces iron excretion in primates and has potential as an alternative to deferoxamine in iron chelation therapy. The compound has a molecular formula of C20H26Cl2N2O6 and a molecular weight of 461.34 g/mol. It has a purity of ≥98% and should be stored as powder at -20°C for up to 3 years or at 4°C for up to 2 years, and in solvent at -80°C for up to 6 months or at -20°C for up to 1 month.
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| Molecular Formula |
C20H26CL2N2O6
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|---|---|
| Molecular Weight |
461.34
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| Exact Mass |
388.163
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| CAS # |
35369-53-0
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| Related CAS # |
HBED; 35998-29-9
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| PubChem CID |
37336
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| Appearance |
White to off-white solid powder
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| Melting Point |
130-134ºC
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| LogP |
1.571
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
28
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| Complexity |
459
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C(=C1)CN(CCN(CC2=CC=CC=C2O)CC(=O)O)CC(=O)O)O
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| InChi Key |
GRUVVLWKPGIYEG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H24N2O6/c23-17-7-3-1-5-15(17)11-21(13-19(25)26)9-10-22(14-20(27)28)12-16-6-2-4-8-18(16)24/h1-8,23-24H,9-14H2,(H,25,26)(H,27,28)
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| Chemical Name |
2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]acetic 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 |
| 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 (~216.8 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.42 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 2.5 mg/mL (5.42 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (5.42 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 can add 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 | 2.1676 mL | 10.8380 mL | 21.6760 mL | |
| 5 mM | 0.4335 mL | 2.1676 mL | 4.3352 mL | |
| 10 mM | 0.2168 mL | 1.0838 mL | 2.1676 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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