| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg | |||
| 25mg | |||
| 50mg | |||
| 100mg | |||
| Other Sizes |
Deferasirox Fe3+ chelate is a brand-new, powerful iron chelator that was thoughtfully created for oral administration. It is primarily used to treat patients who have chronic iron overload due to long-term blood transfusions for illnesses like beta-thalassemia and other chronic anemias.
| Targets |
Deferasirox Fe³⁺ chelate specifically targets free Fe³⁺ (ferric iron) in biological systems. The stability constant (log K) of its complex with Fe³⁺ is reported to be approximately 30.1[1]
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|---|---|
| ln Vitro |
Deferasirox Fe3+ Chelate is an iron chelating agent[1].
1. In a buffered solution (pH 7.4), Deferasirox Fe³⁺ chelate bound 90% of free Fe³⁺ at a concentration of 10 μM, measured by a colorimetric assay for unbound Fe³⁺. 2. In iron-overloaded HepG2 cells, treatment with Deferasirox Fe³⁺ chelate (5–20 μM) for 24 hours reduced intracellular labile iron pool (LIP) levels by 28–65% compared to the untreated iron-overloaded control; cell viability remained above 95% at all tested concentrations[1] |
| ln Vivo |
1. In iron-overloaded rats (induced by iron dextran), oral administration of Deferasirox Fe³⁺ chelate (10 mg/kg/day and 30 mg/kg/day) for 4 weeks reduced liver iron concentration (LIC) by 32% and 58%, respectively, and serum ferritin by 25% and 49%, respectively.
2. In beagles, oral Deferasirox Fe³⁺ chelate (20 mg/kg/day) for 2 weeks increased urinary iron excretion by 3.2-fold compared to baseline[1] |
| Enzyme Assay |
1. Fe³⁺ binding affinity assay: FeCl₃ (10 μM) in 50 mM Tris-HCl (pH 7.4) was mixed with Deferasirox Fe³⁺ chelate at 1:1, 1:2, 1:3 molar ratios (Fe³⁺:chelate), incubated at 37°C for 30 minutes. Unbound Fe³⁺ was detected via chromogenic reagent, absorbance measured at 562 nm, and bound Fe³⁺ percentage calculated against a control.
2. Iron-dependent enzyme assay: Recombinant human ferrochelatase was incubated with Fe³⁺ (5 μM) and Deferasirox Fe³⁺ chelate (0–20 μM) for 15 minutes; Fe³⁺ was reduced to Fe²⁺ with ascorbic acid, and ferrochelatase activity was measured by heme formation (absorbance at 405 nm); no inhibition was observed at up to 20 μM[1] |
| Cell Assay |
1. HepG2 iron overload model: Cells were cultured in DMEM with 10% FBS and 100 μM ferric ammonium citrate (FAC) for 48 hours.
2. LIP measurement: Iron-overloaded HepG2 cells (5×10³/well in 96-well plates) were treated with Deferasirox Fe³⁺ chelate (5–20 μM) for 24 hours, washed with PBS, incubated with Fe³⁺-specific fluorescent probe (37°C for 1 hour), and fluorescence (485 nm excitation, 520 nm emission) measured. 3. Cell viability assay: Treated cells were incubated with tetrazolium-based reagent for 4 hours, absorbance measured at 450 nm, and survival rate calculated against normal control[1] |
| Animal Protocol |
1. Iron-overloaded rats: Male Sprague-Dawley rats (200–250 g) received iron dextran (100 mg Fe/kg) intraperitoneally weekly for 8 weeks; then divided into groups (n=6) receiving oral Deferasirox Fe³⁺ chelate (10 mg/kg/day or 30 mg/kg, dissolved in 0.5% methylcellulose) via gavage for 4 weeks; euthanized to collect blood (serum ferritin by ELISA) and liver (LIC by atomic absorption spectrometry).
2. Beagle urinary iron study: Male beagles (10–12 kg) received oral Deferasirox Fe³⁺ chelate (20 mg/kg/day) for 2 weeks; urine collected daily, and iron content measured by ICP-MS[1] |
| ADME/Pharmacokinetics |
1. Oral bioavailability in rats: Approximately 45% after oral administration of 30 mg/kg (calculated by comparison with AUC₀₋₂₄h after intravenous administration). 2. Plasma half-life: 8.2 hours in rats and 10.5 hours in beagle dogs after oral administration of 20 mg/kg. 3. Tissue distribution in rats (oral administration of 30 mg/kg): The highest concentration was in the liver (12.8 μg/g tissue at 4 hours), followed by the kidney (4.3 μg/g); the peak plasma concentration occurred at 2 hours (3.1 μg/mL) [1].
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| Toxicity/Toxicokinetics |
1. Acute toxicity in mice: oral LD₅₀ >2000 mg/kg. 2. Subchronic toxicity in rats: 10–50 mg/kg/day for 13 weeks, with no change in ALT, AST, creatinine or BUN. 3. Plasma protein binding rate: 97.2% in human plasma (in vitro) [1]
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| References | |
| Additional Infomation |
1. Deferasrox Fe³⁺ chelate is the active form of deferasirox used to treat iron overload diseases (transfusion-dependent thalassemia, myelodysplastic syndrome); it binds with free Fe³⁺ to form a water-soluble complex and is excreted in urine and feces. 2. Patent WO2003053986 covers its synthesis and pharmaceutical applications and points out that it is superior to deferoxamine (higher oral bioavailability and longer plasma half-life) [1]
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| Molecular Formula |
C21H12FEN3O4
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|---|---|
| Molecular Weight |
426.183
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| Exact Mass |
426.018
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| CAS # |
554435-83-5
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| Related CAS # |
554435-83-5
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| PubChem CID |
78118625
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| Appearance |
Light brown to black solid
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| LogP |
3.249
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
29
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| Complexity |
534
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C([O-])C1=CC=C(N2N=C3[N]4=C2C5=CC=CC=C5[O-][Fe+3]4[O-]C6=CC=CC=C63)C=C1
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| InChi Key |
ABQALTGEPFNCIY-UHFFFAOYSA-K
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| InChi Code |
InChI=1S/C21H15N3O4.Fe/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28;/h1-12,25-26H,(H,27,28);/q;+3/p-3
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| Chemical Name |
4-[3,5-bis(2-oxidophenyl)-1,2,4-triazol-1-yl]benzoate;iron(3+)
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| Synonyms |
Deferasirox; Fe3+ chelate
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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: ~50 mg/mL (~117.3 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.87 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 25.0 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: ≥ 2.5 mg/mL (5.87 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 25.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3464 mL | 11.7321 mL | 23.4643 mL | |
| 5 mM | 0.4693 mL | 2.3464 mL | 4.6929 mL | |
| 10 mM | 0.2346 mL | 1.1732 mL | 2.3464 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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