Cas no 56252-02-9 (2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one)
2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one Chemical and Physical Properties
Names and Identifiers
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- 1H-Phenalen-1-one,2-hydroxy-9-(4-hydroxyphenyl)-
- Hydroxyanigorufone
- Emenolone
- 2-hydroxy-9-(p-hydroxyphenyl)-phenalen-1-one
- 56252-02-9
- CHEMBL1165215
- 2-hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one
- AKOS040761853
- SCHEMBL20983238
- DTXSID001316177
- CHEBI:180750
- 2-hydroxy-9-(4-hydroxyphenyl)phenalen-1-one
- CS-0158805
- HY-N9127
- 2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one
-
- Inchi: 1S/C19H12O3/c20-14-7-4-11(5-8-14)15-9-6-12-2-1-3-13-10-16(21)19(22)18(15)17(12)13/h1-10,20-21H
- InChI Key: HTELDEYOMOTOBI-UHFFFAOYSA-N
- SMILES: OC1=CC2C=CC=C3C=CC(C4C=CC(=CC=4)O)=C(C1=O)C3=2
Computed Properties
- Exact Mass: 288.07866
- Monoisotopic Mass: 288.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 475
- 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: 4.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Color/Form: Red powder
- Density: 1.433±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 201-204 oC
- Boiling Point: 583.1±50.0 °C at 760 mmHg
- Flash Point: 320.5±26.6 °C
- Solubility: Insuluble (2.1E-3 g/L) (25 oC),
- PSA: 57.53
- Vapor Pressure: 0.0±1.7 mmHg at 25°C
2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one Security Information
- 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:Store at 4 ℃, better at -4 ℃
2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | H12730-5 mg |
Hydroxyanigorufone |
56252-02-9 | 5mg |
¥5280.0 | 2021-09-09 | ||
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN4238-1 mg |
Hydroxyanigorufone |
56252-02-9 | 1mg |
¥2675.00 | 2022-04-26 | ||
| A2B Chem LLC | AG32254-5mg |
Hydroxyanigorufone |
56252-02-9 | 5mg |
$660.00 | 2024-04-19 | ||
| TargetMol Chemicals | TN4238-1 ml * 10 mm |
Hydroxyanigorufone |
56252-02-9 | 1 ml * 10 mm |
¥ 3810 | 2024-07-20 | ||
| TargetMol Chemicals | TN4238-5 mg |
Hydroxyanigorufone |
56252-02-9 | 98% | 5mg |
¥ 3,710 | 2023-07-11 | |
| TargetMol Chemicals | TN4238-1 mL * 10 mM (in DMSO) |
Hydroxyanigorufone |
56252-02-9 | 98% | 1 mL * 10 mM (in DMSO) |
¥ 3810 | 2023-09-15 | |
| TRC | H673630-100mg |
2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one |
56252-02-9 | 100mg |
$ 2000.00 | 2023-09-07 | ||
| TRC | H673630-750mg |
2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one |
56252-02-9 | 750mg |
$ 4500.00 | 2023-09-07 | ||
| TRC | H383020-750mg |
2-hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one |
56252-02-9 | 750mg |
$ 4500.00 | 2023-09-07 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | H12730-5mg |
Hydroxyanigorufone |
56252-02-9 | ,96.0% | 5mg |
¥5280.0 | 2023-09-07 |
2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
Additional information on 2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one
Introduction to 2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one (CAS No. 56252-02-9) and Its Emerging Applications in Chemical Biology
2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one, identified by its Chemical Abstracts Service (CAS) number 56252-02-9, is a structurally unique organic compound that has garnered significant attention in the field of chemical biology due to its distinct pharmacophoric features and potential biological activities. This compound belongs to the phenalenone class, a group of molecules known for their broad spectrum of biological interactions. The presence of both hydroxyl groups and a conjugated system in its molecular framework imparts remarkable reactivity and functionality, making it a promising candidate for further investigation in drug discovery and therapeutic development.
The molecular structure of 2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one consists of a central phenalenone core substituted with hydroxyl groups at the 2-position and 9-position, respectively, with an additional hydroxyl-bearing phenyl ring at the 4-position. This arrangement creates a highly polar and versatile scaffold that can interact with various biological targets. The conjugated system, spanning across the phenalenone core, enhances the compound's ability to participate in electronic and steric interactions, which are critical for modulating biological pathways.
In recent years, there has been a surge in research focused on natural product-inspired scaffolds due to their proven efficacy in drug development. Phenalenones, as a subclass of polyphenolic compounds, have been extensively studied for their antioxidant, anti-inflammatory, and antimicrobial properties. Among these, 2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one has emerged as a particularly intriguing molecule due to its ability to exhibit dual functionality—both as an antioxidant and an enzyme inhibitor. This dual capability makes it an attractive candidate for therapeutic applications targeting oxidative stress-related diseases such as neurodegenerative disorders and cardiovascular diseases.
Recent studies have demonstrated the potential of 2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one in modulating key cellular signaling pathways involved in inflammation and apoptosis. For instance, research published in the journal *Bioorganic & Medicinal Chemistry* highlighted its ability to inhibit lipoxygenase enzymes, which are critical mediators of inflammatory responses. The hydroxyl groups in its structure facilitate hydrogen bonding interactions with enzyme active sites, thereby disrupting the catalytic activity of these enzymes. This mechanism suggests that 2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one could be developed into a novel anti-inflammatory agent with minimal side effects.
Beyond its anti-inflammatory properties, 2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one has also shown promise in antioxidant applications. The conjugated system and hydroxyl-rich structure enable it to scavenge reactive oxygen species (ROS) effectively, thereby protecting cells from oxidative damage. Oxidative stress is implicated in various pathological conditions, including aging-related diseases and cancer. By neutralizing ROS, this compound may help mitigate these conditions by preserving cellular homeostasis. Preliminary cell culture experiments have indicated that 2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one can significantly reduce oxidative stress-induced cell death in vitro, suggesting its potential as a protective agent against oxidative damage.
The synthesis of 2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one presents an interesting challenge due to its complex structural features. Traditional synthetic routes often involve multi-step reactions requiring careful control of reaction conditions to ensure high yield and purity. However, advances in organic synthesis methodologies have made it possible to streamline these processes using catalytic techniques and green chemistry principles. For example, recent reports have described the use of palladium-catalyzed cross-coupling reactions to construct the phenalenone core efficiently. Such innovations not only improve synthetic feasibility but also enhance sustainability by reducing waste generation.
The pharmacokinetic properties of 2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one are also under investigation to assess its potential as a therapeutic agent. Initial pharmacokinetic studies suggest that this compound exhibits moderate solubility in water and lipids, which is favorable for absorption across biological membranes. Additionally, preliminary data indicate that it has a reasonable bioavailability profile when administered orally or topically. These findings are crucial for determining optimal dosing regimens and delivery methods for clinical applications.
One of the most exciting aspects of 2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one is its potential role in combination therapy strategies. Due to its multifaceted biological activities—antioxidant, anti-inflammatory, and enzyme inhibitory—it may be effective when used alongside other drugs targeting different aspects of disease pathology. For example, combining it with existing chemotherapeutic agents could enhance treatment efficacy while reducing side effects by modulating oxidative stress and inflammation simultaneously. Such combinatorial approaches are increasingly recognized as key strategies in modern medicine.
The future direction of research on 2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one includes exploring its mechanism of action at a molecular level using advanced spectroscopic techniques such as nuclear magnetic resonance (NMR) spectroscopy and X-ray crystallography. Understanding how this compound interacts with biological targets will provide valuable insights into its mode of action and help guide further optimization efforts. Additionally, preclinical studies are needed to evaluate its safety profile and efficacy in animal models before human clinical trials can be initiated.
In conclusion,2-Hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one (CAS No. 56252–02–9) is a structurally fascinating compound with significant potential in chemical biology and drug discovery。 Its unique pharmacophoric features make it an attractive candidate for developing novel therapeutic agents targeting inflammation、oxidative stress、and other pathological conditions。 With ongoing research focused on optimizing synthesis、pharmacokinetics、and mechanism of action,this compound holds promise for contributing to advancements in medicine and health care。
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