112560-33-5

Keto-itraconazole Chemical Structure
112560-33-5

Chemical Structure

Keto-itraconazole

Synonym(s): keto-ITZ

  • CAS No.: 112560-33-5
  • Formula:C35H36Cl2N8O5
  • Molecular Weight:719.62

IUPAC Name: 4-(4-(4-(4-(((2R,4S)-2-((1H-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-(3-oxobutan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one

InChIKey: GZEZATDDANETAV-QQPVTLCMSA-N

SMILES: O=C1N(N=CN1C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@@H]5O[C@](CN6N=CN=C6)(OC5)C7=CC=C(C=C7Cl)Cl)C(C)C(C)=O

Biological Activity: Keto-itraconazole (keto-ITZ) is a metabolism of Itraconazole (HY-17514) with a potent inhibitor activity of CYP3A. Keto-itraconazole shows unbound IC50 value of 4.6 nM when coincubated with human liver microsomes and midazolam[1].

Cat. No. Product Name Purity Description Pricing
HY-117789
Keto-itraconazole 98.4% Keto-itraconazole (keto-ITZ) is a metabolism of Itraconazole (HY-17514) with a potent inhibitor activity of CYP3A. Keto-itraconazole shows unbound IC50 value of 4.6 nM when coincubated with human liver microsomes and midazolam.
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This product is a controlled substance and not for sale in your territory.

This product is not for sale in your territory.

This compound is listed in the SVHC (Substances of Very High Concern) candidate list of ECHA (European Chemicals Agency).

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References