Cas no 1346603-90-4 (rac Secoisolariciresinol-d6)
rac Secoisolariciresinol-d6 Chemical and Physical Properties
Names and Identifiers
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- 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
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- 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
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
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 |
1346603-90-4 | 10mg |
$ 3484.00 | 2023-09-06 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-473280-1 mg |
rac Secoisolariciresinol-d6, |
1346603-90-4 | 1mg |
¥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 |
rac Secoisolariciresinol-d6 Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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