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Properties

Melting point:: 260-2620C

Boiling point:: 672.1±65.0 °C(Predicted)

Density: 1.40±0.1 g/cm3(Predicted)

storage temp.: Keep in dark place,Inert atmosphere,2-8°C

solubility: Soluble in DMSO (10 mg/ml)

form: solid

pka: pKa1 4.57, pKa2 8.71, pKa3 10.56 (Nick); Also reported in H2O/DMSO (CDMSO = 0.20) as pKa1 4.61, pKa2 10.12, pKa3 12.08 (Steinhauser)

color: Off-white to white

Stability:: Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month.

InChI: InChI=1S/C21H15N3O4/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)

InChIKey: BOFQWVMAQOTZIW-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=CC=C(N2C(C3=CC=CC=C3O)=NC(C3=CC=CC=C3O)=N2)C=C1

Safety Information

Symbol(GHS): GHS09

Signal word: Warning

Hazard statements: H410

Precautionary statements: P273-P391-P501

WGK Germany: WGK 3

HS Code: 2933997500

Storage Class: 11 - Combustible Solids

Hazard Classifications: Acute Tox. 4 Oral
Aquatic Acute 1

Hazardous Substances Data: 201530-41-8(Hazardous Substances Data)

Use

Deferasirox: chemical name 4-[3,5-bis (2-hydroxyphenyl)-1,2,4-triazol-1-yl] benzoic acid, is a kind of iron chelator products studied and developed by the Novartis company (Swiss). It was the first routinely used oral iron agent approved by US FDA, allowed to be applied for the treatment of iron overloading caused by blood transfusion in patients (older than 2 years old) of chronic anemia. In Europe, it is recommended as the first-line treatment drug for patients older than 6-year-old who are suffering blood iron overload patients. In China, it is currently subject to clinical research; Ⅱ, Ⅲ clinical trials and pharmacokinetic studies have all shown that it has excellent safety and tolerability, and can significantly reduce the heart, liver iron load, easy to be accepted by the patient. At the same time, it also has pharmacological properties of antifungal (such as Mucor which can grow in iron-ricking environment), anti-cell proliferation, anti-malaria, antioxidant stress injury and anti-cytotoxicity induced apoptosis; it can be used for the treatment of hemochromatosis, delayed skin porphyria and other diseases.