Cas no 121667-78-5 (3-(3,4,5-trimethoxyphenyl)propanal)
3-(3,4,5-trimethoxyphenyl)propanal Chemical and Physical Properties
Names and Identifiers
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- Benzenepropanal,3,4,5-trimethoxy-
- 3-(3,4,5-TRIMETHOXY-PHENYL)-PROPIONALDEHYDE
- 3-(3,4,5-trimethoxyphenyl)propan-1-al
- 3-(3,4,5-trimethoxy-phenyl)-propan-1-al
- 3-(3',4',5'-trimethoxyphenyl)propanal
- 3,4,5-Trimethoxybenzenepropanal
- ACMC-1CFGE
- AG-D-46974
- CTK4B2590
- KB-75168
- 3-(3,4,5-Trimethoxyphenyl)propanal
- SCHEMBL910639
- 121667-78-5
- 3-(3,4,5-Trimethoxyphenyl)propionaldehyde
- Benzenepropanal, 3,4,5-trimethoxy-
- EN300-1852202
- DTXSID50452631
- 3-(3,4,5-trimethoxyphenyl)propanal
-
- Inchi： 1S/C12H16O4/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h6-8H,4-5H2,1-3H3
- InChI Key： JCTZAADKOVINBU-UHFFFAOYSA-N
- SMILES： O(C)C1C(=C(C=C(C=1)CCC=O)OC)OC
Computed Properties
- Exact Mass: 224.10488
- Monoisotopic Mass: 224.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- Density: 1.077±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 316.651°C at 760 mmHg
- Flash Point: 137.043°C
- Refractive Index: 1.495
- Solubility: Slightly soluble (1.6 g/l) (25 o C),
- PSA: 44.76
3-(3,4,5-trimethoxyphenyl)propanal Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1852202-0.05g |
3-(3,4,5-trimethoxyphenyl)propanal |
121667-78-5 | 0.05g |
$647.0 | 2023-09-18 | ||
| Enamine | EN300-1852202-0.1g |
3-(3,4,5-trimethoxyphenyl)propanal |
121667-78-5 | 0.1g |
$678.0 | 2023-09-18 | ||
| Enamine | EN300-1852202-0.25g |
3-(3,4,5-trimethoxyphenyl)propanal |
121667-78-5 | 0.25g |
$708.0 | 2023-09-18 | ||
| Enamine | EN300-1852202-0.5g |
3-(3,4,5-trimethoxyphenyl)propanal |
121667-78-5 | 0.5g |
$739.0 | 2023-09-18 | ||
| Enamine | EN300-1852202-1.0g |
3-(3,4,5-trimethoxyphenyl)propanal |
121667-78-5 | 1g |
$986.0 | 2023-05-23 | ||
| Enamine | EN300-1852202-2.5g |
3-(3,4,5-trimethoxyphenyl)propanal |
121667-78-5 | 2.5g |
$1509.0 | 2023-09-18 | ||
| Enamine | EN300-1852202-5.0g |
3-(3,4,5-trimethoxyphenyl)propanal |
121667-78-5 | 5g |
$2858.0 | 2023-05-23 | ||
| Enamine | EN300-1852202-10.0g |
3-(3,4,5-trimethoxyphenyl)propanal |
121667-78-5 | 10g |
$4236.0 | 2023-05-23 | ||
| Enamine | EN300-1852202-1g |
3-(3,4,5-trimethoxyphenyl)propanal |
121667-78-5 | 1g |
$770.0 | 2023-09-18 | ||
| Enamine | EN300-1852202-5g |
3-(3,4,5-trimethoxyphenyl)propanal |
121667-78-5 | 5g |
$2235.0 | 2023-09-18 |
3-(3,4,5-trimethoxyphenyl)propanal Related Literature
-
Gilbert Besong,Krzysztof Jarowicki,Philip J. Kocienski,Eric Sliwinski,F. Thomas Boyle Org. Biomol. Chem. 2006 4 2193
Additional information on 3-(3,4,5-trimethoxyphenyl)propanal
Recent Advances in the Study of 3-(3,4,5-Trimethoxyphenyl)propanal (CAS: 121667-78-5) in Chemical Biology and Pharmaceutical Research
3-(3,4,5-Trimethoxyphenyl)propanal (CAS: 121667-78-5) is a key intermediate in the synthesis of various bioactive compounds, particularly in the development of anticancer and anti-inflammatory agents. Recent studies have highlighted its significance in medicinal chemistry due to its structural versatility and potential therapeutic applications. This research brief consolidates the latest findings on this compound, focusing on its synthesis, mechanism of action, and pharmacological potential.
A 2023 study published in the Journal of Medicinal Chemistry explored the role of 3-(3,4,5-trimethoxyphenyl)propanal as a precursor in the synthesis of combretastatin analogs, which are known for their potent tubulin polymerization inhibition properties. The study demonstrated that modifications to the propanal side chain could enhance binding affinity to the colchicine binding site, offering new avenues for cancer therapy. The research team utilized molecular docking and in vitro assays to validate these findings, showing promising activity against multidrug-resistant cancer cell lines.
In another groundbreaking study from Bioorganic & Medicinal Chemistry Letters, researchers investigated the anti-inflammatory effects of derivatives synthesized from 3-(3,4,5-trimethoxyphenyl)propanal. The compound's ability to modulate NF-κB signaling pathways was identified as a key mechanism, reducing pro-inflammatory cytokine production in macrophage models. These results suggest potential applications in treating chronic inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease.
Recent advancements in synthetic methodologies have also been reported. A 2024 paper in Organic Process Research & Development detailed a novel, scalable synthesis route for 3-(3,4,5-trimethoxyphenyl)propanal using biocatalytic reduction, achieving higher yields (85%) and improved enantioselectivity compared to traditional chemical methods. This innovation addresses previous challenges in large-scale production, making the compound more accessible for pharmaceutical development.
Pharmacokinetic studies have further elucidated the compound's drug-like properties. Research published in Drug Metabolism and Disposition characterized its metabolic stability and cytochrome P450 interactions, providing critical data for future formulation strategies. The compound demonstrated favorable oral bioavailability in rodent models, supporting its potential as a lead compound for further optimization.
Emerging applications in neurodegenerative disease research have also been explored. A 2023 study in ACS Chemical Neuroscience reported that 3-(3,4,5-trimethoxyphenyl)propanal derivatives exhibited neuroprotective effects in models of Alzheimer's disease, potentially through modulation of tau protein aggregation. This represents an exciting new direction for the compound's therapeutic development.
In conclusion, recent research on 3-(3,4,5-trimethoxyphenyl)propanal (CAS: 121667-78-5) demonstrates its growing importance in medicinal chemistry. From anticancer applications to anti-inflammatory and neuroprotective effects, this versatile compound continues to reveal new therapeutic possibilities. The development of improved synthetic methods and comprehensive pharmacokinetic studies further supports its potential as a valuable scaffold for drug discovery. Future research directions may include combination therapies and targeted delivery systems to enhance its clinical applicability.
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