Itraconazole

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Catalog Number
ACM84625616
Product Name
Itraconazole
Structure
Structure
CAS
84625-61-6
Category
Inhibitors
Description
Itraconazole (R51211) is a triazole antifungal agent and a potent and orally active Hedgehog (Hh) signaling pathway antagonist with an IC50 of ~800 nM. Itraconazole potently inhibits lanosterol 14α-demethylase (cytochrome P450 enzyme), thereby inhibits the oxidative conversion of lanosterol to ergosterol. Itraconazole has anticancer and antiangiogenic effects. Itraconazole is a oxysterol-binding protein (OSBP) inhibitor.
Synonyms
3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-2-(1-methylpropyl)-;(+-)-1-sec-Butyl-4-(p-(4-(p-(((2R*,4S*)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-delta(sup 2)-1,2,4-triazolin-5-one
Molecular Weight
705.63
Molecular Formula
C35H38Cl2N8O4
Canonical SMILES
ClC1=C(C=CC(Cl)=C1)[C@@]2(O[C@@H](COC3=CC=C(N4CCN(C5=CC=C(N(C=NN6C(C)CC)C6=O)C=C5)CC4)C=C3)CO2)CN7C=NC=N7
Melting Point
166°C
Flash Point
467.9°C
Density
1.4 g/cm³
Solubility
water, 0.0004719 mg/L @ 25 °C (est)
Appearance
Off-white crystalline solid
Storage
4°C, protect from light*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light).
Assay
0.99
EC Number
283-347-2
MDL Number
MFCD00870168
Packaging
1 kg
Physical State
Solid
Shipping
Can be shipped at room temperature, where not in use may vary.
Stability
Stable. Incompatible with strong oxidizing agents.
Storage Conditions
2-8°C
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