94820-63-0
Chemical Structure
4'-Hydroxywarfarin-d4
- CAS No.: 94820-63-0
- Formula:C19H12D4O5
- Molecular Weight:328.35
IUPAC Name: 4-hydroxy-3-(1-(4-hydroxyphenyl)-3-oxobutyl)-2H-chromen-2-one-5,6,7,8-d4
InChIKey: RRZWAMPDGRWRPF-QFFDRWTDSA-N
SMILES: C(CC(C)=O)(C1=C(O)C=2C(OC1=O)=C(C(=C(C2[2H])[2H])[2H])[2H])C3=CC=C(O)C=C3
Biological Activity: 4'-Hydroxywarfarin-d4 is the deuterated-labeled 4′-Hydroxywarfarin (HY-139003). 4′-Hydroxywarfarin is a pKa modulator and regio-isomeric phenolic derivative of Warfarin (HY-B0687). 4′-Hydroxywarfarin is a principal mammalian metabolite of Warfarin, a metabolic probe for cytochrome P-450 isozyme multiplicity[1][2].
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4'-Hydroxywarfarin-d4 | 4'-Hydroxywarfarin-d4 is the deuterated-labeled 4′-Hydroxywarfarin (HY-139003). 4′-Hydroxywarfarin is a pKa modulator and regio-isomeric phenolic derivative of Warfarin (HY-B0687). 4′-Hydroxywarfarin is a principal mammalian metabolite of Warfarin, a metabolic probe for cytochrome P-450 isozyme multiplicity. | |||||||||||||||||||||
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- [1]. Nowak, Paweł M, et al. Modulation of pK a by cyclodextrins; subtle structural changes induce spectacularly different behaviors. RSC Adv., 5(95), 77545–77552.
- [2]. Rizzo JD, et al. Microbial models of mammalian metabolism: conversion of warfarin to 4'-hydroxywarfarin using Cunninghamella bainieri. Journal of pharmaceutical sciences. 1989 Mar;78(3):183-9.
Keywords
