Cas no 358656-23-2 (2-Propen-1-one,1-(3-bromophenyl)-3-(2-thienyl)-)
2-Propen-1-one,1-(3-bromophenyl)-3-(2-thienyl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Propen-1-one,1-(3-bromophenyl)-3-(2-thienyl)-
- 1-(3-bromophenyl)-3-(2-thienyl)-2-Propen-1-one
- 1-(3-bromophenyl)-3-thiophen-2-ylprop-2-en-1-one
- (E)-1-(3-bromophenyl)-3-thiophen-2-ylprop-2-en-1-one
- 1-(3-BROMOPHENYL)-3-(THIOPHEN-2-YL)PROP-2-EN-1-ONE
- AG-F-24618
- AGN-PC-01GCFF
- CTK4H5486
- FT-0716012
- DTXSID00699695
- 358656-23-2
- AKOS030241987
-
- MDL: MFCD01901400
- Inchi: 1S/C13H9BrOS/c14-11-4-1-3-10(9-11)13(15)7-6-12-5-2-8-16-12/h1-9H
- InChI Key: ULPFGYBQXYIQTK-UHFFFAOYSA-N
- SMILES: BrC1=CC=CC(=C1)C(C=CC1=CC=CS1)=O
Computed Properties
- Exact Mass: 291.95577
- Monoisotopic Mass: 291.956
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 277
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 45.3A^2
- XLogP3: 4.1
Experimental Properties
- PSA: 17.07
- LogP: 4.40670
2-Propen-1-one,1-(3-bromophenyl)-3-(2-thienyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB421948-1 g |
(2E)-1-(3-Bromophenyl)-3-(thiophen-2-yl)prop-2-en-1-one |
358656-23-2 | 1g |
€339.20 | 2023-06-16 | ||
| abcr | AB421948-5 g |
(2E)-1-(3-Bromophenyl)-3-(thiophen-2-yl)prop-2-en-1-one |
358656-23-2 | 5g |
€658.70 | 2023-06-16 | ||
| abcr | AB421948-10 g |
(2E)-1-(3-Bromophenyl)-3-(thiophen-2-yl)prop-2-en-1-one |
358656-23-2 | 10g |
€786.50 | 2023-06-16 | ||
| abcr | AB421948-25 g |
(2E)-1-(3-Bromophenyl)-3-(thiophen-2-yl)prop-2-en-1-one |
358656-23-2 | 25g |
€1169.90 | 2023-06-16 | ||
| abcr | AB421948-1g |
(2E)-1-(3-Bromophenyl)-3-(thiophen-2-yl)prop-2-en-1-one; . |
358656-23-2 | 1g |
€339.20 | 2025-04-19 | ||
| abcr | AB421948-5g |
(2E)-1-(3-Bromophenyl)-3-(thiophen-2-yl)prop-2-en-1-one; . |
358656-23-2 | 5g |
€658.70 | 2025-04-19 | ||
| abcr | AB421948-10g |
(2E)-1-(3-Bromophenyl)-3-(thiophen-2-yl)prop-2-en-1-one; . |
358656-23-2 | 10g |
€786.50 | 2025-04-19 | ||
| abcr | AB421948-25g |
(2E)-1-(3-Bromophenyl)-3-(thiophen-2-yl)prop-2-en-1-one; . |
358656-23-2 | 25g |
€1169.90 | 2025-04-19 |
2-Propen-1-one,1-(3-bromophenyl)-3-(2-thienyl)- Suppliers
2-Propen-1-one,1-(3-bromophenyl)-3-(2-thienyl)- Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
Additional information on 2-Propen-1-one,1-(3-bromophenyl)-3-(2-thienyl)-
Research Briefing on 2-Propen-1-one,1-(3-bromophenyl)-3-(2-thienyl)- (CAS: 358656-23-2) in Chemical Biology and Pharmaceutical Applications
The compound 2-Propen-1-one,1-(3-bromophenyl)-3-(2-thienyl)- (CAS: 358656-23-2) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This briefing synthesizes the latest findings on this compound, focusing on its synthesis, biological activity, and emerging roles in drug development.
Recent studies have highlighted the compound's role as a key intermediate in the synthesis of bioactive molecules, particularly in the development of kinase inhibitors and anti-inflammatory agents. Its structural motif, featuring a bromophenyl group and a thienyl moiety, allows for versatile interactions with biological targets, making it a valuable scaffold in medicinal chemistry.
A 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of 2-Propen-1-one,1-(3-bromophenyl)-3-(2-thienyl)- exhibit potent inhibitory activity against cyclin-dependent kinases (CDKs), which are critical targets in cancer therapy. The researchers utilized molecular docking and in vitro assays to validate the compound's binding affinity and selectivity, suggesting its potential as a lead compound for oncology drug discovery.
In addition to its anticancer properties, this compound has shown promise in modulating inflammatory pathways. A preprint from BioRxiv (2024) reported that it effectively suppresses NF-κB signaling, a key regulator of inflammation, in macrophage cell lines. These findings position it as a candidate for developing novel anti-inflammatory therapeutics, particularly for chronic inflammatory diseases such as rheumatoid arthritis.
The synthesis of 2-Propen-1-one,1-(3-bromophenyl)-3-(2-thienyl)- has also been optimized in recent work. A team from the University of Cambridge developed a scalable, one-pot synthesis route with a yield exceeding 85%, as detailed in Organic Process Research & Development (2023). This advancement addresses previous challenges in large-scale production, facilitating further preclinical and clinical investigations.
Despite these promising developments, challenges remain in understanding the compound's pharmacokinetics and toxicity profile. Preliminary in vivo studies in rodent models indicate moderate bioavailability and a need for structural modifications to enhance metabolic stability. Researchers are actively exploring prodrug strategies and formulation technologies to overcome these limitations.
In conclusion, 2-Propen-1-one,1-(3-bromophenyl)-3-(2-thienyl)- (CAS: 358656-23-2) represents a multifaceted tool in drug discovery, with applications spanning oncology and inflammation. Continued research into its mechanism of action and optimization of its pharmacological properties will be critical for translating these findings into clinical applications. Collaborative efforts between academic institutions and pharmaceutical companies are expected to accelerate its development in the coming years.
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