220930-96-1

Basic information

• Product Name: 4',7-Dihydroxyisoflavone-d3
• Synonyms: 4',7-Dihydroxyisoflavone-d3;7-Hydroxy-3-(4-hydroxyphenyl-3,5-d2)-4H-1-benzopyran-4-one-8-d;Daidzein-3',5',8-d3
• CAS NO: 220930-96-1
• Molecular Formula: C15H7D3O4
• Molecular Weight: 0
• Product Categories: Isotope Labeled Compounds;Tyrosine Kinase Inhibitors;Isotope Labelled Compounds;Isotope Labelled Compounds, Tyrosine Kinase Inhibitors
• Mol File: 220930-96-1.mol

Chemical Properties

• Boiling Point: 512.837°C at 760 mmHg
• Flash Point: 201.215°C
• Appearance: /
• Density: 1.461g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.699
• Storage Temp.: Refrigerator
• Solubility: DMSO (Slightly), Ethanol (Slightly, Heated), Methanol (Very Slightly)
• CAS DataBase Reference: 4',7-Dihydroxyisoflavone-d3(CAS DataBase Reference)
• NIST Chemistry Reference: 4',7-Dihydroxyisoflavone-d3(220930-96-1)
• EPA Substance Registry System: 4',7-Dihydroxyisoflavone-d3(220930-96-1)

Safety Data

• Hazardous Substances Data: 220930-96-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4',7-Dihydroxyisoflavone-d3 is used as a deuterium-labeled compound for the study of pharmaceutical interactions and mechanisms. The deuterium labeling allows for the tracking and analysis of the compound's behavior in biological systems, which can be crucial for understanding its potential therapeutic effects and optimizing its use in drug development.
Used in Research and Development:
4',7-Dihydroxyisoflavone-d3 is used as a research tool for investigating the biological activities and properties of isoflavones. The deuterium labeling provides a means to differentiate between the labeled compound and its non-labeled counterparts, which can be beneficial in studying the compound's metabolism, distribution, and potential effects on cellular processes.
Used in Analytical Chemistry:
4',7-Dihydroxyisoflavone-d3 is used as an internal standard or reference compound in analytical chemistry, particularly in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy. The deuterium labeling can improve the accuracy and precision of these analytical techniques by providing a stable and easily distinguishable reference point.
Used in Drug Delivery Systems:
4',7-Dihydroxyisoflavone-d3 can be used as a component in the development of drug delivery systems, where its deuterium labeling may offer advantages in terms of stability, solubility, or targeted delivery. The compound's properties can be tailored to specific applications, potentially enhancing the efficacy and safety of drug formulations.

InChI:InChI=1/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H/i3D,4D,7D

Upstream product

• 486-66-8 daidzein 
• 944719-69-1 C₁₅H₈⁽²⁾H₂O₄ 

Downstream Products

• 104411-13-4 7-hydroxy-3-(4-hydroxyphenyl-3,5-d2)-4H-chromen-4-one-6,8-d2 
• 291759-05-2 7-hydroxy-3-(4-hydroxyphenyl-2,3,5,6-D₄)-4H-1-benzopyran-4-one-6,8-D₂ 

Relevant articles and documents

Synthesis of D6-daidzein

Daidzein, an isoflavone abundant in soy, has various interesting biological properties that have been ascribed potential beneficial effects on human health. The study of these properties and effects of daidzein in general requires that an isotopically labeled reference compound is available for quantitative measurements. We report here the preparation of a deuterium labeled daidzein by acid catalyzed H/D exchange of aromatic protons using D3PO4·BF3/D2O as a deuterating reagent at 100°C. The product, [6,8,2',3',5',6'-D6]-daidzein, is isotopically pure with all D atoms chemically stable during the various extraction and purification steps of the ID/GC/MS/SIM quantitation procedure.

Synthesis of isoflavonoid deuterium labeled polyphenolic Phytoestrogens

Deuteration methods are described for the synthesis of new stable deuterium labeled isoflavonoids, [8,3',5'-D3]-daidzein 4a, [8,3',5'-D3]- formononetin 4b, [2',3',5',6'-D4]-biochanin A 4c, [6,8,3',5'- D4]dihydrodaidzein 5a, [3,6,8,3',5'-D5]-dihydrodaidzein 5b, [3,2',3',5',6'- D5]-dihydrogenistein 5c and [2,4,8,10-D4]-coumestrol 6, using D3PO4·BF3/D2O as a deuteration reagent. Positions of deuterium labels and isotopic purities were determined by NMR and mass spectrometry. The relative of H/D exchange at the various aromatic sites is discussed.

Deuterated flavonoid compound and its preparation method

The invention relates to a deuterated flavonoid compound and its preparation method, comprises the following steps: the flavonoid compounds, alkali and heavy water mixed, in an inert gas atmosphere for 90 °C under the above conditions the flavonoid compou

Expedient deuterolabeling of polyphenols in ionic liquids - DCl/D 2O under microwave irradiation

(Chemical Equation Presented) Postsynthetic regioselective aromatic ring H/D exchanges in polyphenolic compounds are rapidly performed in high yields and isotopic purities in ionic liquid-DCl/D2O under microwave irradiation. Other C-H bonds, in

Synthesis of deuterated isoflavone disulfates

Efficient synthesis of polydeuterated di-O-sulfates of three isoflavones, daidzein (1), genistein (2), glycitein (3), is described. The isoflavones were first deuterated with CF3COOD under microwave irradiation to yield daidzein-d6 (

Synthesis of the -Labelled Urinary Lignans, Enterolactone and Enterodiol, and the Phytoestrogen Daidzein and its Metabolites Equol and O-Demethylangolensin

Methods are described for the synthesis of enterolactone, -trans-2,3-bis(3-hydroxybenzyl)-γ-butyrolactone>, enterodiol, -2,3-bis(3-hydroxybenzyl)butane-1,4-diol>, diadzein, -7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-