Cas no 124961-66-6 (Ajugacumbin B)

Ajugacumbin B is a bioactive diterpenoid compound isolated from Ajuga species, notably recognized for its potential pharmacological properties. Structurally characterized by a unique cembrane skeleton, it exhibits promising anti-inflammatory and cytotoxic activities, making it a subject of interest in medicinal chemistry research. Preliminary studies suggest its ability to modulate key signaling pathways, including NF-κB and MAPK, which are implicated in inflammatory and proliferative diseases. Its distinct molecular framework also offers opportunities for structural derivatization to enhance bioactivity. Ajugacumbin B is primarily utilized in academic and pharmaceutical research for investigating novel therapeutic agents, particularly in oncology and immunology. Stability and purity are critical for experimental reproducibility.
Ajugacumbin B structure
Ajugacumbin B structure
Product Name:Ajugacumbin B
CAS No:124961-66-6
MF:C27H38O7
MW:474.58642911911
CID:146420
PubChem ID:6442457
Update Time:2025-11-02

Ajugacumbin B Chemical and Physical Properties

Names and Identifiers

    • [(4aR,5S,7R,8S,8aR)-5-acetyloxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
    • 2-Butenoic acid,2-methyl-,[(1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]octahydro-5,6-dimethyl
    • 2-Butenoic acid,2-methyl-,[(1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-8a-yl]methylester, (2E)-
    • Ajugacumbin A
    • [5-acetyloxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalen
    • Ajugacumbin B
    • AKOS040736098
    • 124961-66-6
    • FS-7959
    • {(1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5,6-dimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]octahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methyl (2E)-2-methylbut-2-enoate
    • [(4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
    • CHEBI:69880
    • Q27138223
    • CHEMBL1813868
    • 2-Butenoic acid, 2-methyl-, [8-(acetyloxy)-5-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]octahydro-5,6-dimethylspiro[naphthalene-1(8aH),2'-oxiran]-8a-yl]methyl ester, (2E)-
    • NSC635594
    • [4-acetoxy-1,2-dimethyl-1-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[decalin-5,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
    • Inchi: 1S/C27H38O7/c1-6-17(2)24(30)32-16-27-21(8-7-10-26(27)15-33-26)25(5,11-9-20-13-23(29)31-14-20)18(3)12-22(27)34-19(4)28/h6,13,18,21-22H,7-12,14-16H2,1-5H3/b17-6+/t18-,21-,22+,25+,26?,27+/m1/s1
    • InChI Key: TWZAPYCYRPQAOD-CTGMRMAZSA-N
    • SMILES: O1CC21CCC[C@@H]1[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@@H]([C@@]21COC(/C(=C/C)/C)=O)OC(C)=O

Computed Properties

  • Exact Mass: 474.26200
  • Monoisotopic Mass: 474.261754
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 9
  • Complexity: 920
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 91.4

Experimental Properties

  • Color/Form: Powder
  • Density: 1.18
  • Boiling Point: 592°C at 760 mmHg
  • Flash Point: 251°C
  • Refractive Index: 1.54
  • PSA: 91.43000
  • LogP: 4.29250

Ajugacumbin B Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
ChemFaces
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124961-66-6 >=98%
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MedChemExpress
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124961-66-6 99.78%
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¥4100 2024-04-20
A2B Chem LLC
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((1R,4AR,5S,6R,8S,8aR)-8-acetoxy-5,6-dimethyl-5-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)octahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl)methyl (E)-2-methylbut-2-enoate
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Additional information on Ajugacumbin B

Exploring the Potential of Ajugacumbin B (CAS No. 124961-66-6): A Natural Compound with Promising Applications

Ajugacumbin B (CAS No. 124961-66-6) is a naturally occurring compound that has garnered significant attention in recent years due to its unique chemical structure and potential therapeutic properties. Derived from the Ajuga genus of plants, this compound belongs to the class of diterpenoids, which are known for their diverse biological activities. Researchers and pharmaceutical companies are increasingly interested in Ajugacumbin B for its potential applications in natural medicine, anti-inflammatory therapies, and antioxidant formulations.

The chemical structure of Ajugacumbin B features a complex arrangement of carbon rings and functional groups, which contribute to its biological activity. Studies have shown that this compound exhibits strong antioxidant properties, making it a candidate for combating oxidative stress-related conditions. Additionally, its anti-inflammatory effects have been observed in preclinical studies, suggesting potential use in managing chronic inflammatory diseases. The growing interest in plant-derived therapeutics has further propelled research into Ajugacumbin B and its analogs.

One of the most exciting aspects of Ajugacumbin B is its potential role in neuroprotective therapies. With the increasing prevalence of neurodegenerative disorders such as Alzheimer's and Parkinson's disease, scientists are actively exploring natural compounds that could offer protective benefits. Preliminary research indicates that Ajugacumbin B may help protect neuronal cells from damage, although more extensive clinical trials are needed to confirm these effects. This aligns with the current trend in holistic healthcare, where consumers are seeking natural alternatives to conventional pharmaceuticals.

The market for natural bioactive compounds like Ajugacumbin B is expanding rapidly, driven by consumer demand for plant-based supplements and functional foods. Manufacturers are exploring ways to incorporate this compound into nutraceutical formulations, capitalizing on its potential health benefits. The cosmeceutical industry has also shown interest in Ajugacumbin B due to its anti-aging properties and ability to protect skin cells from environmental stressors.

From a research perspective, Ajugacumbin B presents interesting challenges and opportunities in organic synthesis and drug development. Chemists are working to develop efficient synthetic routes to produce this compound, as natural extraction methods may not yield sufficient quantities for commercial applications. The development of synthetic analogs with improved bioavailability and targeted activity is another active area of investigation. These efforts are crucial for translating the potential of Ajugacumbin B into practical therapeutic applications.

Quality control and standardization of Ajugacumbin B preparations remain important considerations for researchers and manufacturers. Advanced analytical techniques such as HPLC and mass spectrometry are employed to ensure the purity and consistency of this compound. As with any bioactive substance, thorough safety evaluation and toxicity studies are essential before widespread commercial use. Regulatory agencies are increasingly focusing on the standardization of plant-derived compounds, which will impact how products containing Ajugacumbin B are developed and marketed.

The future of Ajugacumbin B research looks promising, with several potential directions for exploration. Scientists are investigating its possible synergistic effects with other natural compounds, which could lead to more effective formulations. There is also growing interest in understanding the molecular mechanisms behind its biological activities, which could reveal new therapeutic targets. As the scientific community continues to uncover the potential of this fascinating compound, Ajugacumbin B may well become an important player in the field of natural product drug discovery.

For researchers and industry professionals interested in Ajugacumbin B, staying updated with the latest findings is crucial. The compound's unique properties and potential applications make it a subject worth following in scientific literature and pharmaceutical development circles. As more data becomes available about its efficacy and safety profile, we can expect to see increased commercialization of products containing this remarkable natural compound.

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