Cas no 1169806-00-1 (Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)-)

Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)- structure
1169806-00-1 structure
Product Name:Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)-
CAS No:1169806-00-1
MF:C28H40O4
MW:440.614809036255
CID:97734
PubChem ID:42643169
Update Time:2025-10-30

Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)- Chemical and Physical Properties

Names and Identifiers

    • Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)-
    • Sculponeatin O
    • (5β,7β,8α,9β,10α,13α,16β)-7,16-Dihydroxykauran-17-yl phenylacetat e
    • 13,14-dehydro-latanoprost
    • [ "" ]
    • AKOS032962127
    • HY-N1259
    • CS-0016663
    • [(1R,2S,4R,9R,10S,13R,14R)-2,14-dihydroxy-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl 2-phenylacetate
    • 1169806-00-1
    • FS-10190
    • DA-57748
    • ((1R,2S,4R,9R,10S,13R,14R)-2,14-dihydroxy-5,5,9-trimethyl-14-tetracyclo(11.2.1.01,10.04,9)hexadecanyl)methyl 2-phenylacetate
    • Inchi: 1S/C28H40O4/c1-25(2)12-7-13-26(3)21-11-10-20-16-27(21,23(29)15-22(25)26)17-28(20,31)18-32-24(30)14-19-8-5-4-6-9-19/h4-6,8-9,20-23,29,31H,7,10-18H2,1-3H3/t20-,21+,22-,23+,26+,27-,28+/m1/s1
    • InChI Key: RQZFFMTZMGJLHA-ZXUQJNMHSA-N
    • SMILES: O[C@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2CC[C@H]3[C@@](COC(CC4C=CC=CC=4)=O)(C[C@]21C3)O

Computed Properties

  • Exact Mass: 440.29300
  • Monoisotopic Mass: 440.293
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 5
  • Complexity: 727
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66.8A^2
  • XLogP3: 5.7

Experimental Properties

  • Color/Form: Cryst.
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 559.6±30.0 °C at 760 mmHg
  • Flash Point: 179.8±18.1 °C
  • PSA: 66.76000
  • LogP: 4.90700
  • Vapor Pressure: 0.0±1.6 mmHg at 25°C

Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)- Security Information

Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)- Pricemore >>

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Additional information on Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)-

Research Brief on Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)- (CAS: 1169806-00-1): Recent Advances and Applications

Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)- (CAS: 1169806-00-1) is a diterpenoid derivative that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural features and potential therapeutic applications. This research brief aims to synthesize the latest findings on this compound, focusing on its synthesis, biological activities, and potential clinical applications. The compound belongs to the kaurane diterpenoid family, which is known for its diverse pharmacological properties, including anti-inflammatory, anti-cancer, and neuroprotective effects.

Recent studies have highlighted the synthetic pathways for Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)-, emphasizing the use of advanced catalytic methods to achieve high yields and enantiomeric purity. A 2023 study published in the Journal of Medicinal Chemistry demonstrated a novel enzymatic approach to synthesize this compound, which significantly reduced the number of steps required compared to traditional chemical synthesis. This advancement not only improves the scalability of production but also enhances the sustainability of the process, aligning with the growing demand for green chemistry in pharmaceutical manufacturing.

The biological activities of Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)- have been extensively investigated in preclinical models. A key finding from a 2022 study in Bioorganic & Medicinal Chemistry Letters revealed its potent anti-inflammatory effects, mediated through the inhibition of NF-κB signaling pathways. This mechanism suggests potential applications in treating chronic inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease. Additionally, the compound has shown promising anti-cancer activity in vitro, particularly against breast and lung cancer cell lines, by inducing apoptosis and inhibiting angiogenesis.

Further research has explored the neuroprotective properties of Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)-. A 2023 study in Neuropharmacology reported that the compound could mitigate oxidative stress and neuronal apoptosis in models of Parkinson’s disease, suggesting its potential as a therapeutic agent for neurodegenerative disorders. These findings are particularly significant given the limited treatment options currently available for such conditions.

Despite these promising results, challenges remain in the clinical translation of Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)-. Issues such as bioavailability, metabolic stability, and potential toxicity need to be addressed through further pharmacokinetic and pharmacodynamic studies. Recent efforts have focused on structural modifications to enhance its drug-like properties, as highlighted in a 2023 review in Expert Opinion on Drug Discovery.

In conclusion, Kaurane-7,16,17-triol,17-(benzeneacetate), (7b)- (CAS: 1169806-00-1) represents a promising candidate for drug development, with demonstrated efficacy in preclinical models of inflammation, cancer, and neurodegeneration. Future research should prioritize optimizing its pharmacokinetic profile and conducting rigorous clinical trials to validate its therapeutic potential. The continued exploration of this compound underscores the importance of diterpenoids in modern drug discovery and their potential to address unmet medical needs.

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