Cas no 166021-14-3 (3',4-O-Dimethylcedrusin)
3',4-O-Dimethylcedrusin Chemical and Physical Properties
Names and Identifiers
-
- 3',4-O-Dimethylcedrusin
- 3,4-O-dimethylcedrusin
- 4-O-Methyldihydrodehydrodiconiferyl alcohol
- 2-(3',4'-Dimethoxyphenyl)-2,3-dihydro-3-hydroxymethyl-7-methoxybenzofuran-5-propan-1-ol
- 5-Benzofuranpropanol, 2-(3,4-dimethoxyphenyl)-2,3-dihydro-3-(hydroxymethyl)-7-methoxy-, (2S-trans)-
- 3-[(2S,3R)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
- FS-8161
- 3-[(2~{S},3~{R})-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
- DTXSID70155455
- 166021-14-3
- W8O
- CHEMBL464374
- 127179-41-3
- SCHEMBL23028909
-
- Inchi: 1S/C21H26O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h6-7,9-11,16,20,22-23H,4-5,8,12H2,1-3H3/t16-,20+/m0/s1
- InChI Key: UVPCDEDIFJYIPT-OXJNMPFZSA-N
- SMILES: O1C2C(=CC(CCCO)=CC=2[C@H](CO)[C@H]1C1C=CC(=C(C=1)OC)OC)OC
Computed Properties
- Exact Mass: 374.17293854g/mol
- Monoisotopic Mass: 374.17293854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 446
- 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
- Topological Polar Surface Area: 77.4
- XLogP3: 2.4
Experimental Properties
- Color/Form: Powder
3',4-O-Dimethylcedrusin Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| ChemFaces | CFN95026-10mg |
3,4-O-dimethylcedrusin |
166021-14-3 | >=98% | 10mg |
$388 | 2021-07-22 | |
| ChemFaces | CFN95026-10mg |
3,4-O-dimethylcedrusin |
166021-14-3 | >=98% | 10mg |
$388 | 2023-09-19 | |
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN6495-10 mg |
3,4-O-dimethylcedrusin |
166021-14-3 | 10mg |
¥4080.00 | 2022-04-26 | ||
| TargetMol Chemicals | TN6495-10mg |
3,4-O-dimethylcedrusin |
166021-14-3 | 10mg |
¥ 5130 | 2024-07-24 | ||
| TargetMol Chemicals | TN6495-1 ml * 10 mm |
3,4-O-dimethylcedrusin |
166021-14-3 | 1 ml * 10 mm |
¥ 3530 | 2024-07-24 | ||
| TargetMol Chemicals | TN6495-1 ml * 10 mm |
3,4-O-dimethylcedrusin |
166021-14-3 | 1 ml * 10 mm |
¥ 3530 | 2024-07-20 | ||
| eNovation Chemicals LLC | Y1200773-5mg |
3,4-O-dimethylcedrusin |
166021-14-3 | 98% | 5mg |
$295 | 2025-02-26 | |
| eNovation Chemicals LLC | Y1200773-10mg |
3,4-O-dimethylcedrusin |
166021-14-3 | 98% | 10mg |
$495 | 2025-02-26 | |
| eNovation Chemicals LLC | Y1200773-5mg |
3,4-O-dimethylcedrusin |
166021-14-3 | 98% | 5mg |
$295 | 2025-02-21 | |
| eNovation Chemicals LLC | Y1200773-10mg |
3,4-O-dimethylcedrusin |
166021-14-3 | 98% | 10mg |
$495 | 2025-02-21 |
3',4-O-Dimethylcedrusin Suppliers
3',4-O-Dimethylcedrusin Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids 2-arylbenzofuran flavonoids
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids
- Natural Products and Extracts Plant Extracts Plant based Faramea multiflora
Additional information on 3',4-O-Dimethylcedrusin
Professional Introduction to 3',4-O-Dimethylcedrusin (CAS No. 166021-14-3)
3',4-O-Dimethylcedrusin, identified by the Chemical Abstracts Service Number (CAS No.) 166021-14-3, is a naturally occurring flavonoid derivative that has garnered significant attention in the field of pharmaceutical chemistry and biochemistry. This compound, isolated primarily from certain species of the genus *Cedrus*, exhibits a unique structural framework characterized by methoxylation at the 3' and 4' positions of the flavone core. Such structural modifications are known to modulate its biological activity, making it a subject of intense research interest.
The pharmacological properties of 3',4-O-Dimethylcedrusin have been extensively studied, particularly for its potential therapeutic applications. Flavonoids, as a class, are renowned for their antioxidant, anti-inflammatory, and antimicrobial properties. However, the methoxylation at specific positions in 3',4-O-Dimethylcedrusin enhances its bioavailability and target specificity, which are critical factors in drug design. Recent advancements in computational chemistry have allowed researchers to predict the binding affinities of this compound with various biological targets, including enzymes and receptors involved in metabolic pathways.
In recent years, 3',4-O-Dimethylcedrusin has been investigated for its role in modulating immune responses. Studies have demonstrated that this compound can interact with immune cells such as macrophages and T-lymphocytes, influencing cytokine production and apoptosis. These findings are particularly relevant in the context of developing immunomodulatory therapies for chronic inflammatory diseases. The structural analogs of 3',4-O-Dimethylcedrusin, such as those with varying degrees of methoxylation or additional functional groups, have been synthesized to explore structure-activity relationships (SAR) further.
The synthesis of 3',4-O-Dimethylcedrusin presents both challenges and opportunities. Traditional extraction methods from natural sources are labor-intensive and yield limited quantities. However, modern biotechnological approaches, including microbial fermentation and enzymatic biotransformation, offer promising alternatives for scalable production. These methods not only improve yield but also allow for the customization of the compound’s structure to enhance its pharmacological efficacy.
One of the most compelling aspects of 3',4-O-Dimethylcedrusin is its potential in oncology research. Preclinical studies have indicated that this compound can inhibit the proliferation of certain cancer cell lines by interfering with key signaling pathways such as MAPK and PI3K/Akt. The methoxylated flavonoids are particularly effective in inducing apoptosis in cancer cells while sparing normal cells, suggesting a high therapeutic index. This selective toxicity makes 3',4-O-Dimethylcedrusin an attractive candidate for further development into an anticancer drug.
The role of 3',4-O-Dimethylcedrusin in neuroprotection has also been explored recently. Oxidative stress and inflammation are hallmark features of neurodegenerative diseases such as Alzheimer’s and Parkinson’s disease. Studies have shown that 3',4-O-Dimethylcedrusin can scavenge reactive oxygen species (ROS) and reduce inflammatory markers in neuronal cells. Additionally, its ability to cross the blood-brain barrier enhances its potential as a therapeutic agent for central nervous system disorders.
The regulatory landscape for compounds like 3',4-O-Dimethylcedrusin is evolving rapidly. As more research emerges on its safety and efficacy, regulatory agencies are updating guidelines to accommodate novel drug candidates derived from natural products. The use of computational modeling and high-throughput screening techniques has expedited the drug discovery process, allowing for faster translation from bench to bedside.
In conclusion, 3',4-O-Dimethylcedrusin (CAS No. 166021-14-3) represents a significant advancement in natural product-based drug development. Its unique structural features, coupled with promising preclinical data across multiple therapeutic areas, position it as a compound of great interest for future clinical investigations. As research continues to uncover new applications and synthetic pathways for this flavonoid derivative, it is likely to play an increasingly important role in modern medicine.
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