7-Hydroxy Warfarin β-D-Glucuronide

Base Information

• Chemical Name: 7-Hydroxy Warfarin β-D-Glucuronide
• CAS No.: 24579-17-7
• Molecular Formula: C₂₅H₂₄O₁₁
• Molecular Weight: 500.459
• Mol file: 24579-17-7.mol

Synonyms:7-Hydroxy Warfarin β-D-Glucuronide;4-Hydroxy-2-oxo-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-7-yl β-D-Glucopyranosiduronic Acid

Chemical Property of 7-Hydroxy Warfarin β-D-Glucuronide

Chemical Property:

• Boiling Point: 814.1±65.0 °C(Predicted)
• PKA: 2.76±0.70(Predicted)
• PSA: 183.96000
• Density: 1.581±0.06 g/cm3(Predicted)
• LogP: 0.88060

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: A glucuronide of monohydroxylated Warfarin metabolite, 7-Hydroxy Warfarin (H996130).

Technology Process of 7-Hydroxy Warfarin β-D-Glucuronide

There total 3 articles about 7-Hydroxy Warfarin β-D-Glucuronide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

UDP-glucuronic acid (2616-64-0) + [13C]-(S)-7-Hydroxywarfarin → S-7-hydroxywarfarin β-D-4-glucuronide + S-4-hydroxywarfarin β-D-7-glucuronide (24579-17-7)

Guidance literature:

With UDP-glucuronosyltransferase; alamethicin I; D-Glucaro-1,4-lacton; In aq. buffer; at 37 ℃; for 1h; pH=7.4; Kinetics; Enzymatic reaction;

DOI:10.1016/j.abb.2014.10.006

Reference yield:

UDP-glucuronic acid (2616-64-0) + [14C]-(R)-7-Hydroxywarfarin → R-7-hydroxywarfarin β-D-4-glucuronide + R-4-hydroxywarfarin β-D-7-glucuronide (24579-17-7)

Guidance literature:

With UDP-glucuronosyltransferase; alamethicin I; magnesium chloride; In aq. buffer; at 37 ℃; for 1h; pH=7.4; Kinetics; Enzymatic reaction;

DOI:10.1016/j.abb.2014.10.006

Reference yield:

4,7-dihydroxycoumarin (1983-81-9) + (E)-benzalacetone (1896-62-4) → R-7-hydroxywarfarin β-D-4-glucuronide + R-4-hydroxywarfarin β-D-7-glucuronide (24579-17-7)

Guidance literature:

Multi-step reaction with 2 steps

1: (R,R)-1,2-diphenylethylenediamine; acetic acid / tetrahydrofuran / 20 °C / Sealed tube; Green chemistry

2: alamethicin I; magnesium chloride; UDP-glucuronosyltransferase / aq. buffer / 1 h / 37 °C / pH 7.4 / Enzymatic reaction

With UDP-glucuronosyltransferase; (R,R)-1,2-diphenylethylenediamine; acetic acid; alamethicin I; magnesium chloride; In tetrahydrofuran;

DOI:10.1016/j.abb.2014.10.006

upstream raw materials:

UDP-glucuronic acid

4,7-dihydroxycoumarin

(E)-benzalacetone

Refernces