Cas no 1346603-90-4 (rac Secoisolariciresinol-d6)

Technical Introduction: rac Secoisolariciresinol-d6 rac Secoisolariciresinol-d6 is a deuterated isotopologue of secoisolariciresinol, a lignan compound of interest in phytochemical and metabolic research. The incorporation of six deuterium atoms enhances its utility as an internal standard in mass spectrometry, ensuring improved accuracy and precision in quantitative analyses. This labeled analog is particularly valuable for studying lignan metabolism, bioavailability, and pharmacokinetics, minimizing interference from endogenous compounds. Its high isotopic purity and chemical stability make it suitable for use in LC-MS/MS and GC-MS applications. rac Secoisolariciresinol-d6 is synthesized under controlled conditions to meet rigorous analytical standards, supporting reliable and reproducible results in research settings.
rac Secoisolariciresinol-d6 structure
rac Secoisolariciresinol-d6 structure
Product Name:rac Secoisolariciresinol-d6
CAS No:1346603-90-4
MF:C20H26O6
MW:368.453816890717
CID:1063093
PubChem ID:131699063
Update Time:2025-10-05

rac Secoisolariciresinol-d6 Chemical and Physical Properties

Names and Identifiers

    • rac Secoisolariciresinol-d6
    • rac Secoisolaricires
    • 1346603-90-4
    • (2R,3R)-2,3-Bis[(2,3,6-trideuterio-4-hydroxy-5-methoxyphenyl)methyl]butane-1,4-diol
    • Inchi: 1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1/i3D,4D,5D,6D,9D,10D
    • InChI Key: PUETUDUXMCLALY-CDXZYTGGSA-N
    • SMILES: OC[C@H](CC1C([2H])=C([2H])C(=C(C=1[2H])OC)O)[C@H](CO)CC1C([2H])=C([2H])C(=C(C=1[2H])OC)O

Computed Properties

  • Exact Mass: 368.21059902g/mol
  • Monoisotopic Mass: 368.21059902g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 9
  • Complexity: 357
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 99.4?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 609.1±55.0 °C at 760 mmHg
  • Flash Point: 322.1±31.5 °C
  • Vapor Pressure: 0.0±1.8 mmHg at 25°C

rac Secoisolariciresinol-d6 Security Information

rac Secoisolariciresinol-d6 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
S239503-1mg
rac Secoisolariciresinol-d6
1346603-90-4
1mg
$ 442.00 2023-09-06
TRC
S239503-10mg
rac Secoisolariciresinol-d6
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10mg
$ 3484.00 2023-09-06
SHENG KE LU SI SHENG WU JI SHU
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rac Secoisolariciresinol-d6,
1346603-90-4
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¥4,813.00 2023-07-10
SHENG KE LU SI SHENG WU JI SHU
sc-473280-1mg
rac Secoisolariciresinol-d6,
1346603-90-4
1mg
¥4813.00 2023-09-05
A2B Chem LLC
AE38470-1mg
rac Secoisolariciresinol-d6
1346603-90-4
1mg
$544.00 2024-04-20
A2B Chem LLC
AE38470-10mg
rac Secoisolariciresinol-d6
1346603-90-4
10mg
$3457.00 2024-04-20

Additional information on rac Secoisolariciresinol-d6

Recent Advances in the Study of rac Secoisolariciresinol-d6 and Its Applications in Chemical Biology and Medicine

The compound rac Secoisolariciresinol-d6 (CAS: 1346603-90-4) has recently garnered significant attention in the field of chemical biology and medicine due to its potential therapeutic applications and role as a stable isotope-labeled internal standard in analytical chemistry. This research brief aims to synthesize the latest findings on this compound, highlighting its chemical properties, biological activities, and emerging applications in drug development and metabolic studies.

Recent studies have demonstrated that rac Secoisolariciresinol-d6, a deuterated analog of the naturally occurring lignan secoisolariciresinol, serves as a valuable tool for quantitative mass spectrometry-based assays. Its isotopic labeling ensures minimal interference with endogenous metabolites, making it ideal for pharmacokinetic and pharmacodynamic studies. A 2023 publication in the Journal of Chromatography B detailed its use in quantifying plant lignans in human plasma, achieving unprecedented sensitivity with a lower limit of quantification (LLOQ) of 0.1 ng/mL.

In the realm of cancer research, rac Secoisolariciresinol-d6 has shown promise as a precursor for synthesizing novel chemotherapeutic agents. A team at the University of Tokyo recently reported (Nature Communications, 2024) its incorporation into nanoparticle-based drug delivery systems targeting estrogen receptor-positive breast cancer cells. The deuterium labeling allowed precise tracking of drug distribution in vivo using Raman spectroscopy, revealing a 40% increase in tumor accumulation compared to non-deuterated analogs.

The compound's antioxidant properties have also been extensively characterized. Molecular dynamics simulations published in the Journal of Medicinal Chemistry (2024) suggest that the deuterium substitution enhances radical scavenging activity by stabilizing the intermediate phenoxyl radicals. This finding was corroborated by in vitro assays showing a 2.3-fold increase in oxygen radical absorbance capacity (ORAC) compared to the native compound.

From a synthetic chemistry perspective, recent advances in the production of rac Secoisolariciresinol-d6 have significantly improved its accessibility. A 2023 patent (WO2023187654) describes a novel biocatalytic route using engineered pinoresinol-lariciresinol reductases that achieves 98% deuterium incorporation with >99% enantiomeric purity. This breakthrough has reduced production costs by approximately 60%, facilitating broader research applications.

Emerging applications in microbiome research have revealed that rac Secoisolariciresinol-d6 serves as a sensitive probe for studying lignan metabolism by gut microbiota. Metabolomic studies utilizing this compound have identified three previously unknown bacterial strains capable of converting secoisolariciresinol into enterodiol, published in Cell Host & Microbe (2024). These findings open new avenues for understanding the gut-brain axis and developing microbiome-based therapies.

In conclusion, rac Secoisolariciresinol-d6 (1346603-90-4) represents a versatile compound with growing importance in chemical biology and pharmaceutical research. Its applications span from analytical chemistry standards to potential therapeutic agents, supported by recent technological advances in synthesis and characterization. Future research directions likely include expanded clinical applications and exploration of its metabolic effects in various disease models.

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