Cas no 1159579-44-8 (Alstonic acid A)

Alstonic acid A structure
Alstonic acid A structure
Product Name:Alstonic acid A
CAS No:1159579-44-8
MF:C30H48O3
MW:456.700329780579
CID:97739
PubChem ID:91895416
Update Time:2025-10-17

Alstonic acid A Chemical and Physical Properties

Names and Identifiers

    • 19-Norpregn-5(10)-ene-4-aceticacid, 3-(1,1-dimethyl-2-oxoethyl)-4,8,9,20-tetramethyl-, (3a,4b)-
    • Alstonic acid A
    • (3alpha,4beta)-3-(1,1-Dimethyl-2-oxoethyl)-4,8,9,20-tetramethyl-19-norpregn-5(10)-ene-4-acetic acid
    • [ "" ]
    • W2374
    • 1159579-44-8
    • 19-Norpregn-5(10)-ene-4-acetic acid, 3-(1,1-dimethyl-2-oxoethyl)-4,8,9,20-tetramethyl-, (3alpha,4beta)-
    • AKOS032962006
    • 2-[(3R,4S,8S,9S,13R,14R,17R)-4,8,9,13-tetramethyl-3-(2-methyl-1-oxopropan-2-yl)-17-propan-2-yl-2,3,6,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetic acid
    • FS-10183
    • B0005-188511
    • (-)-Alstonic acid A
    • Inchi: 1S/C30H48O3/c1-19(2)20-9-12-24-27(20,5)15-16-29(7)22-10-11-23(26(3,4)18-31)28(6,17-25(32)33)21(22)13-14-30(24,29)8/h18-20,23-24H,9-17H2,1-8H3,(H,32,33)/t20-,23+,24-,27-,28-,29-,30+/m1/s1
    • InChI Key: WODHWLGTVYKRQF-PWWKQHFHSA-N
    • SMILES: OC(C[C@@]1(C)[C@H](C(C=O)(C)C)CCC2=C1CC[C@]1(C)[C@]2(C)CC[C@]2(C)[C@@H](C(C)C)CC[C@@H]12)=O

Computed Properties

  • Exact Mass: 456.36000
  • Monoisotopic Mass: 456.36034539 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 5
  • Complexity: 868
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.5
  • Topological Polar Surface Area: 54.4
  • Molecular Weight: 456.7

Experimental Properties

  • Color/Form: Cryst.
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 552.1±23.0 °C at 760 mmHg
  • Flash Point: 301.8±19.1 °C
  • PSA: 54.37000
  • LogP: 7.68780
  • Vapor Pressure: 0.0±3.2 mmHg at 25°C

Alstonic acid A Security Information

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Additional information on Alstonic acid A

Alstonic acid A (CAS No. 1159579-44-8): An Overview of Its Structure, Biological Activity, and Potential Applications

Alstonic acid A, with the CAS number 1159579-44-8, is a naturally occurring compound derived from the plant Alstonia scholaris. This compound has garnered significant attention in recent years due to its unique chemical structure and potential biological activities. This overview aims to provide a comprehensive understanding of Alstonic acid A, including its chemical properties, biological effects, and potential applications in various fields.

Chemical Structure and Properties

Alstonic acid A is a triterpenoid compound characterized by its complex molecular structure. The chemical formula of Alstonic acid A is C30H46O6, and it has a molecular weight of 502.68 g/mol. The compound exhibits a high degree of structural complexity, featuring multiple functional groups such as hydroxyl and carboxyl groups. These functional groups contribute to the compound's solubility and reactivity, making it an interesting subject for both synthetic and biological studies.

The physical properties of Alstonic acid A include its appearance as a white crystalline solid at room temperature. It is slightly soluble in water but shows better solubility in organic solvents such as methanol and ethanol. The compound's stability under various conditions, such as pH and temperature, has been studied extensively to ensure its viability in different applications.

Biological Activity and Mechanisms of Action

Alstonic acid A has been the focus of numerous studies due to its diverse biological activities. One of the most notable properties of this compound is its antiproliferative effect on cancer cells. Research has shown that Alstonic acid A can inhibit the growth of various cancer cell lines, including those derived from breast, lung, and colon cancers. The mechanism behind this activity involves the induction of apoptosis (programmed cell death) through the modulation of key signaling pathways such as p53 and Bcl-2.

In addition to its antiproliferative effects, Alstonic acid A has also demonstrated anti-inflammatory properties. Studies have found that the compound can reduce the production of pro-inflammatory cytokines such as TNF-α and IL-6 by inhibiting the activation of nuclear factor-kappa B (NF-κB). This makes Alstonic acid A a potential candidate for the treatment of inflammatory diseases such as arthritis and inflammatory bowel disease.

Potential Applications in Medicine and Biotechnology

The unique biological activities of Alstonic acid A have led to its exploration in various medical and biotechnological applications. In cancer research, the compound's ability to induce apoptosis in cancer cells without significant toxicity to normal cells makes it a promising candidate for the development of novel anticancer drugs. Clinical trials are currently underway to evaluate the safety and efficacy of Alstonic acid A-based therapies in human patients.

In the field of anti-inflammatory research, Alstonic acid A has shown promise as a potential therapeutic agent for chronic inflammatory conditions. Its ability to modulate inflammatory signaling pathways without causing significant side effects could make it a valuable addition to existing treatment regimens.

Beyond its direct therapeutic applications, Alstonic acid A has also been studied for its potential use in drug delivery systems. The compound's unique chemical structure allows it to be incorporated into various drug delivery vehicles, such as nanoparticles and liposomes, enhancing its bioavailability and targeting capabilities.

Synthesis and Production Methods

The natural source of Alstonic acid A, the plant Alstonia scholaris, is limited in availability, which has prompted researchers to explore synthetic methods for producing this compound on a larger scale. Several synthetic routes have been developed, each with its own advantages and challenges. One common approach involves the use of chiral catalysts to achieve high enantiomeric purity, which is crucial for ensuring the biological activity of the final product.

In addition to synthetic methods, biotechnological approaches have also been explored for the production of Alstonic acid A strong>. Genetic engineering techniques have been used to overexpress key enzymes involved in the biosynthesis pathway of triterpenoids in microbial hosts such as yeast and bacteria. This approach not only increases the yield but also reduces the environmental impact associated with traditional extraction methods from plant sources.

FUTURE DIRECTIONS AND CONCLUSIONS strong> p > < p >The ongoing research on Alstonic acid A strong > highlights its potential as a valuable compound with diverse applications in medicine and biotechnology . However , further studies are needed to fully understand its mechanisms of action , optimize its synthesis , and evaluate its safety profile . As new findings continue to emerge , it is likely that Alstonic acid A strong > will play an increasingly important role in addressing some of the most pressing health challenges faced by society today . p > article > < / response >

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