| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg |
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| 1g | |||
| Other Sizes |
| Targets |
HBED targets iron ions (Fe³⁺), chelating them with high affinity. By binding to iron, it forms stable complexes that can be excreted from the body, reducing iron overload. Its mechanism of action is similar to other iron chelators like deferoxamine, but it has the advantage of oral bioavailability.
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|---|---|
| ln Vitro |
In vitro, HBED binds to iron ions with high affinity. Its iron-chelating activity is measured in cell-free assays using spectrophotometric methods. It is used as a tool to study iron metabolism and to chelate iron in cell culture media.
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| ln Vivo |
In vivo, HBED is used for the treatment of chronic iron overload and acute iron poisoning. It can be administered orally, which is a significant advantage over parenteral iron chelators. It is used to reduce iron levels in patients with transfusional iron overload.
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| Enzyme Assay |
The in vitro iron chelation activity of HBED is assessed by measuring its ability to bind to iron ions. This is typically done using spectrophotometric methods, such as the ferrozine assay, or by measuring the formation of the iron-HBED complex. Its affinity for iron is determined.
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| Cell Assay |
In vitro cellular assays for HBED are performed on cells to study its effects on iron metabolism. Its ability to chelate intracellular iron and to protect cells from iron-induced oxidative stress is measured.
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| Animal Protocol |
In vivo animal experiments for HBED are conducted in animal models of iron overload. The drug is administered orally, and its effects on serum iron levels, tissue iron content, and iron excretion are assessed.
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| ADME/Pharmacokinetics |
HBED is a potent iron chelator with well-characterized pharmacokinetic properties. It is orally bioavailable. Its half-life and metabolism have been studied in animals and humans. It is excreted in urine and feces.
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| Toxicity/Toxicokinetics |
HBED is generally well-tolerated. Common side effects may include gastrointestinal disturbances. It is contraindicated in patients with hypersensitivity to the drug. Its safety profile has been established in clinical use.
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| References | |
| Additional Infomation |
HBED is an iron chelator used for the treatment of iron overload. It is also known as N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid. It is not an FDA-approved drug in all countries, but it is used in some regions for the treatment of iron overload.
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| Molecular Formula |
C20H24N2O6
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|---|---|
| Molecular Weight |
388.41436
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| Exact Mass |
388.163
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| CAS # |
35998-29-9
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| Related CAS # |
HBED dihydrochloride; 35369-53-0
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| PubChem CID |
37336
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| Appearance |
White to off-white solid powder
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| Density |
1.374g/cm3
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| Boiling Point |
614.7ºC at 760mmHg
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| Flash Point |
325.6ºC
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| Index of Refraction |
1.644
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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: ~5.6 mg/mL (~14.3 mM; with ultrasonication and warming by heating to 60°C)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.56 mg/mL (1.44 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 (5.6 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: ≥ 0.56 mg/mL (1.44 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 (5.6 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5746 mL | 12.8730 mL | 25.7460 mL | |
| 5 mM | 0.5149 mL | 2.5746 mL | 5.1492 mL | |
| 10 mM | 0.2575 mL | 1.2873 mL | 2.5746 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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