[2H4]-Equol, racemic mixture

Catalog Number	ACM104411145
CAS	104411-14-5
Description	Equol is intended for Pharmaceuticals, Environment, Food & beverage applications. All information about [2H4]-Equol, racemic mixture is provided in the MSDS. We deliver compounds with high purity levels and a comprehensive Certificate of Analysis.
Molecular Weight	246.29
Molecular Formula	C15H14O3
Purity	≥98%
Isotopic Enrichment	98% 2H
Stability	≥1 year

Case Study

[2H4]-Equol as an Internal Standard for Quantifying Unbound and Total S-Equol via Isotope Dilution LC-MS/MS

Plomley, Jeffry B., et al. Journal of pharmaceutical and biomedical analysis, 2011, 55(1), 125-134.

Researchers developed and validated liquid chromatography-tandem mass spectrometry (LC-MS/MS) methods to quantify unconjugated and total S-equol levels in human plasma and urine. The OJ-H column allowed for enantiomeric separation of R- and S-equol under normal-phase conditions using an ethanol/hexane mobile phase. Negative ion electrospray ionization generated the [M-H]- ion of S-equol and signal strength improved through post-column ammonium hydroxide addition. A triple quadrupole mass spectrometer monitored transitions at *m/z* 241 → 121 (S-equol) and *m/z* 245 → 123 ([2H4]-equol internal standard).
The quantification process for total S-equol required enzymatic deconjugation through the application of sulfatase and glucuronidase. The method demonstrated an average recovery of 85% for both unconjugated and total S-equol, with no matrix interference. Linear ranges spanned 0.025-10 ng/mL (plasma) and 0.20-200 ng/mL (urine) for unconjugated S-equol. Intra- and inter-day precision (coefficient of variation) and accuracy remained within ±15% of theoretical values. This method can be used to evaluate the pharmacokinetics of S-equol in plasma after oral administration.

Application of [2H4]-Equol as an Internal Standard to Study Equol Metabolism in a Prostate Cancer Mouse Model

Liu, Yufei, et al. Nutrition & metabolism, 2019, 16, 1-7.

This study investigated the role of equol-a gut microbiota-derived metabolite of daidzein with enhanced anti-carcinogenic properties-in prostate cancer progression using transgenic adenocarcinoma of the prostate (TRAMP) mice. The study examined how a high-fat diet affects gut microbiota composition and equol metabolism.
Methods
TRAMP mice received either a control diet (CD) or HFD until they reached 24 weeks of age before undergoing a 4-day treatment with oral daidzein.The research measured serum daidzein and equol levels with ultra-high performance liquid chromatography and parallel reaction monitoring mass spectrometry (UHPLC-PRM-MS/MS) utilizing [2H4]-equol (Equol-d4 at 100 ng/mL) as the internal standard. Fecal microbiome profiling and prostate histopathology were conducted to assess microbial and pathological changes.
Key Findings
· HFD significantly accelerated prostate cancer progression in TRAMP mice (p = 0.045).
· While soy flavonoid levels remained unchanged between diet groups, serum equol was markedly reduced in the HFD cohort (p = 0.019).
· Gut microbiota analysis revealed shifts in bacterial composition under HFD: 21 species increased and 11 decreased in abundance. Notably, Adlercreutzia-a genus linked to equol production-declined in the HFD group (0.08% vs. 0.27% in CD).

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[2H4]-Equol, racemic mixture (104411-14-5)

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