Cas no 99946-04-0 (Isoboonein)

Isoboonein is a diterpenoid compound derived from natural sources, primarily studied for its potential pharmacological and biological activities. Its unique structural framework, characterized by a fused tetracyclic system, makes it a subject of interest in medicinal chemistry and drug discovery. Key advantages include its demonstrated anti-inflammatory and cytotoxic properties, which have shown promise in preliminary research for therapeutic applications. Isoboonein's stability and selectivity in binding to specific biological targets further enhance its utility as a lead compound in developing novel bioactive agents. Its natural origin also offers a sustainable starting point for semi-synthetic modifications, expanding its potential in pharmaceutical development.
Isoboonein structure
Isoboonein structure
Product Name:Isoboonein
CAS No:99946-04-0
MF:C9H14O3
MW:170.20566
CID:808686
PubChem ID:10899112
Update Time:2025-08-04

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

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.
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¥2035.00 2022-04-26
A2B Chem LLC
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Cyclopenta[c]pyran-3(1H)-one, hexahydro-6-hydroxy-7-methyl-, (4aR,6S,7R,7aS)-
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$494.00 2024-07-18
TargetMol Chemicals
TN4267-1 ml * 10 mm
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¥ 2860 2024-07-20
A2B Chem LLC
AB80829-1mg
Cyclopenta[c]pyran-3(1H)-one, hexahydro-6-hydroxy-7-methyl-, (4aR,6S,7R,7aS)-
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TargetMol Chemicals
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¥ 2,760 2023-07-11
TargetMol Chemicals
TN4267-1 mL * 10 mM (in DMSO)
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¥ 2860 2023-09-15
TargetMol Chemicals
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¥ 2760 2024-07-20

Isoboonein Related Literature

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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