Cas no 6871-44-9 (Echitamine)

Echitamine is a monoterpene indole alkaloid primarily derived from the Alstonia species, notably Alstonia scholaris. It exhibits notable pharmacological properties, including antimalarial, anti-inflammatory, and potential antitumor activities. Structurally characterized by its indole framework, echitamine interacts with biological targets such as DNA and enzymes, making it a subject of interest in medicinal chemistry research. Its mechanism of action often involves modulation of cellular pathways, including apoptosis induction and inhibition of pro-inflammatory cytokines. Echitamine's high purity and well-defined molecular structure ensure reproducibility in experimental studies, supporting its utility as a reference standard or investigative tool in drug discovery and biochemical research.
Echitamine structure
Echitamine structure
Product Name:Echitamine
CAS No:6871-44-9
MF:C22H29N2O4
MW:385.4767
CID:510837
PubChem ID:11953926
Update Time:2025-05-19

Echitamine Chemical and Physical Properties

Names and Identifiers

    • 13H-3,8a-Methano-1H-azepino[1',2':1,2]pyrrolo[2,3-b]indolium,4-ethylidene-2,3,4,5,7,8-hexahydro-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-,(1S,3S,4E,8aS,13aR,14R)-
    • 13H-3,8a-Methano-1H-azepino[1',2':1,2]pyrrolo[2,3-b]indolium,4-ethylidene-2,3,4,5,7,8-hexahydr...
    • 13H-3,8a-Methano-1H-azepino[1',2':1,2]pyrrolo[2,3-b]indolium,4-ethylidene-2,3,4,5,7,8-hexahydro-1-hydroxy-14-(hydroxymethyl)-
    • ECHETAMINE BASE
    • Echitamine
    • NS00045718
    • Methyl 13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.0
    • 6871-44-9
    • Q27106467
    • C09152
    • CHEBI:4751
    • Methyl (1S,9R,10S,12S,13E,15S)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
    • [ "" ]
    • AKOS040761653
    • Ditaine
    • AFJPGVUCVDCFPM-MLIPYVIESA-N
    • DTXSID801318327
    • Methyl (1S,9R,10S,12S,13E,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
    • Inchi: 1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1
    • InChI Key: AFJPGVUCVDCFPM-UHFFFAOYSA-N
    • SMILES: O([H])C1([H])C([H])([H])C2([H])C(=C([H])C([H])([H])[H])C([H])([H])[N+]3(C([H])([H])[H])C([H])([H])C([H])([H])C4(C5=C([H])C([H])=C([H])C([H])=C5N([H])C341)C2(C(=O)OC([H])([H])[H])C([H])([H])O[H]

Computed Properties

  • Exact Mass: 385.21300
  • Monoisotopic Mass: 385.21273241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 3
  • Complexity: 740
  • 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
  • Topological Polar Surface Area: 78.8
  • XLogP3: 0.7

Experimental Properties

  • Color/Form: Powder
  • Density: 1.2125 (rough estimate)
  • Melting Point: 206°C
  • Boiling Point: 524.62°C (rough estimate)
  • Refractive Index: 1.6300 (estimate)
  • PSA: 78.79000
  • LogP: 1.48570

Echitamine Security Information

  • Storage Condition:Store at room temperature, 2-8 ℃ is better

Echitamine Pricemore >>

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Additional information on Echitamine

Introduction to Echitamine (CAS No. 6871-44-9) in Modern Chemical and Biomedical Research

Echitamine, a compound with the chemical name Echitamine and the CAS number CAS No. 6871-44-9, has garnered significant attention in the field of chemical and biomedical research due to its unique structural properties and potential therapeutic applications. This compound, belonging to the class of heterocyclic organic molecules, has been extensively studied for its pharmacological effects and interactions with biological targets. The growing interest in Echitamine is driven by its promising role in drug discovery and its potential to address various health challenges.

The molecular structure of Echitamine, characterized by a complex heterocyclic framework, contributes to its distinctive chemical behavior. This structure allows for multiple possible interactions with biological systems, making it a versatile candidate for further exploration. Researchers have been particularly intrigued by its potential as a scaffold for developing new medications targeting neurological disorders, cardiovascular diseases, and inflammatory conditions.

Recent advancements in computational chemistry and molecular modeling have enhanced our understanding of how Echitamine interacts with biological targets. These studies have revealed that Echitamine exhibits high binding affinity to certain enzymes and receptors, suggesting its efficacy in modulating biological pathways. For instance, preliminary research indicates that Echitamine may inhibit the activity of specific enzymes involved in inflammation, offering a novel approach to treating chronic inflammatory diseases.

In the realm of drug development, Echitamine has been explored as a potential therapeutic agent for neurological disorders. Studies have shown that it can cross the blood-brain barrier, a critical factor for any compound intended to treat central nervous system (CNS) disorders. The ability of Echitamine to penetrate this barrier opens up possibilities for treating conditions such as Alzheimer's disease, Parkinson's disease, and epilepsy. Furthermore, its interaction with neurotransmitter systems suggests that it may influence cognitive functions and mood regulation.

The cardiovascular system is another area where Echitamine shows promise. Research has indicated that it may have vasodilatory effects, potentially helping to manage conditions like hypertension and atherosclerosis. By interacting with vascular smooth muscle cells and endothelial cells, Echitamine could promote the relaxation of blood vessels and improve blood flow. These findings are particularly exciting as they highlight the compound's potential to address cardiovascular diseases without the side effects associated with some conventional treatments.

Echitamine's role in modulating inflammatory responses has also been a focus of recent studies. Chronic inflammation is a hallmark of many diseases, including autoimmune disorders and metabolic syndromes. By targeting key inflammatory pathways, Echitamine may help reduce inflammation and alleviate symptoms associated with these conditions. This potential makes it an attractive candidate for further clinical investigation.

The synthesis of Echitamine presents both challenges and opportunities for chemists. Its complex structure requires precise synthetic methodologies to ensure high yield and purity. Advances in synthetic chemistry have enabled researchers to develop more efficient routes for producing Echitamine, making it more accessible for further research and development. These synthetic advancements are crucial for translating laboratory findings into viable therapeutic options.

As research on Echitamine continues to evolve, so does our understanding of its mechanisms of action and therapeutic potential. The integration of traditional wet chemistry with cutting-edge computational techniques has provided a comprehensive view of how this compound interacts with biological systems. This multidisciplinary approach is essential for unlocking the full potential of Echitamine in medicine.

The future of Echitamine research looks promising, with ongoing studies aimed at optimizing its pharmacological properties and exploring new applications. Collaborative efforts between chemists, biologists, and clinicians will be crucial in translating these findings into clinical practice. As our knowledge expands, so does the possibility that Echitamine will play a significant role in addressing some of the most pressing health challenges faced today.

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