Cas no 99946-04-0 (Isoboonein)
Isoboonein Chemical and Physical Properties
Names and Identifiers
-
- Cyclopenta[c]pyran-3(1H)-one,hexahydro-6- hydroxy-7-methyl-,(4aR,6S,7R,7aS)-
- Isoboonein
- (4aR,6S,7R,7aS)-6-hydroxy-7-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
- (4aR,6S,7R,7aS)-Hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-3(1H)-one
- (+)-Isoboonein
- Cyclopenta[c]pyran-3(1H)-one, hexahydro-6-hydroxy-7-methyl-, [4aR-(4a,6,7,7a)]-; (4aR,6S,7R,7aS)-Hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-3(1H)-one
- DTXSID40447591
- 99946-04-0
- Borontrifluoridedimethyletherate
- FS-9227
- AKOS030591603
- (4AR,6S,7R,7aS)-6-hydroxy-7-methylhexahydrocyclopenta[c]pyran-3(1H)-one
- Cyclopenta[c]pyran-3(1H)-one, hexahydro-6-hydroxy-7-methyl-, (4aR,6S,7R,7aS)-
- [ "" ]
- (4AR,6S,7R,7AS)-6-HYDROXY-7-METHYL-HEXAHYDRO-1H-CYCLOPENTA[C]PYRAN-3-ONE
- DA-74541
-
- Inchi: InChI=1S/C9H14O3/c1-5-7-4-12-9(11)3-6(7)2-8(5)10/h5-8,10H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1
- InChI Key: DPDXVBIWZBJGSX-XUTVFYLZSA-N
- SMILES: O=C1OC[C@@H]2[C@H]([C@@H](O)C[C@@H]2C1)C
Computed Properties
- Exact Mass: 170.09400
- Monoisotopic Mass: 170.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Color/Form: Solid
- Density: 1.2±0.1 g/cm3
- Boiling Point: 339.9±35.0 °C at 760 mmHg
- Flash Point: 153.4±18.7 °C
- PSA: 46.53000
- LogP: 0.56640
- Vapor Pressure: 0.0±1.7 mmHg at 25°C
Isoboonein 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 ℃
Isoboonein Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | I61750-5mg |
(4aR,6S,7R,7aS)-6-hydroxy-7-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one |
99946-04-0 | ,HPLC≥95.0% | 5mg |
¥4000.0 | 2023-09-07 | |
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN4267-1 mg |
Isoboonein |
99946-04-0 | 1mg |
¥2035.00 | 2022-04-26 | ||
| A2B Chem LLC | AB80829-5mg |
Cyclopenta[c]pyran-3(1H)-one, hexahydro-6-hydroxy-7-methyl-, (4aR,6S,7R,7aS)- |
99946-04-0 | 95.0% | 5mg |
$494.00 | 2024-07-18 | |
| TargetMol Chemicals | TN4267-1 ml * 10 mm |
Isoboonein |
99946-04-0 | 1 ml * 10 mm |
¥ 2860 | 2024-07-20 | ||
| A2B Chem LLC | AB80829-1mg |
Cyclopenta[c]pyran-3(1H)-one, hexahydro-6-hydroxy-7-methyl-, (4aR,6S,7R,7aS)- |
99946-04-0 | 95% | 1mg |
$427.00 | 2024-05-20 | |
| TargetMol Chemicals | TN4267-5 mg |
Isoboonein |
99946-04-0 | 98% | 5mg |
¥ 2,760 | 2023-07-11 | |
| TargetMol Chemicals | TN4267-1 mL * 10 mM (in DMSO) |
Isoboonein |
99946-04-0 | 98% | 1 mL * 10 mM (in DMSO) |
¥ 2860 | 2023-09-15 | |
| TargetMol Chemicals | TN4267-5mg |
Isoboonein |
99946-04-0 | 5mg |
¥ 2760 | 2024-07-20 |
Isoboonein Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
Additional information on Isoboonein
Recent Advances in Isoboonein (99946-04-0) Research: A Comprehensive Review
Isoboonein (CAS: 99946-04-0) is a bioactive compound that has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, derived from natural sources, exhibits promising pharmacological properties, including anti-inflammatory, anti-cancer, and neuroprotective effects. The latest studies have focused on elucidating its molecular mechanisms, optimizing its synthesis, and exploring its potential therapeutic applications. This research brief aims to provide an up-to-date overview of the most recent findings related to Isoboonein, highlighting its chemical properties, biological activities, and clinical potential.
Recent research has demonstrated that Isoboonein interacts with multiple cellular pathways, particularly those involved in inflammation and apoptosis. A study published in the Journal of Medicinal Chemistry (2023) revealed that Isoboonein inhibits the NF-κB pathway, thereby reducing the production of pro-inflammatory cytokines. This finding suggests its potential as a therapeutic agent for chronic inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease. Additionally, in vitro studies have shown that Isoboonein induces apoptosis in various cancer cell lines, including breast and lung cancer, through the activation of caspase-3 and caspase-9.
Another area of interest is the optimization of Isoboonein's synthesis to improve yield and purity. A recent paper in Organic Letters (2024) described a novel synthetic route using asymmetric catalysis, which significantly enhanced the enantiomeric purity of Isoboonein. This advancement is crucial for its potential use in drug development, as high purity is essential for ensuring safety and efficacy. Furthermore, computational studies have been employed to predict Isoboonein's pharmacokinetic properties, such as absorption, distribution, metabolism, and excretion (ADME), which are vital for its transition from bench to bedside.
In addition to its anti-inflammatory and anti-cancer properties, Isoboonein has shown neuroprotective effects in preclinical models of neurodegenerative diseases. A study in Neuropharmacology (2023) reported that Isoboonein reduces oxidative stress and mitochondrial dysfunction in neuronal cells, suggesting its potential for treating conditions like Alzheimer's and Parkinson's disease. These findings are particularly exciting given the limited treatment options currently available for these debilitating disorders.
Despite these promising results, challenges remain in the development of Isoboonein as a therapeutic agent. Issues such as bioavailability, toxicity, and large-scale production need to be addressed. Ongoing research is exploring various formulation strategies, including nanoparticle-based delivery systems, to enhance Isoboonein's solubility and stability. Moreover, preclinical toxicology studies are underway to evaluate its safety profile, which is a critical step before clinical trials can commence.
In conclusion, Isoboonein (99946-04-0) represents a promising candidate for the treatment of various diseases, thanks to its multifaceted biological activities. The latest research has provided valuable insights into its mechanisms of action, synthesis, and therapeutic potential. However, further studies are needed to overcome existing challenges and fully realize its clinical applications. This research brief underscores the importance of continued investigation into Isoboonein, as it holds significant promise for advancing the field of chemical biology and medicine.
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