Page last updated: 2024-12-09

1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

You are describing a **macrocyclic aza-crown ether**, a specific type of molecule with a complex structure and intriguing potential. Here's a breakdown:

**What is 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol?**

* **Macrocycle:** The molecule is a large ring-shaped structure.
* **Aza-crown ether:** It contains oxygen atoms (forming the crown) and a nitrogen atom (the aza) within the ring.
* **Bicyclic:** It has two fused rings. The nomenclature bicyclo[13.4.0]nonadeca describes the ring system: 13, 4, and 0 carbon atoms in each of the three rings.
* **Substitutions:** The molecule has a methyl group (CH3) attached to the nitrogen atom and an ethanol group (CH2CH2OH) attached to the ring system.
* **Double bonds:** The trien indicates there are three double bonds within the ring system, specifically at positions 1(15), 16, and 18.

**Why is it Important for Research?**

This type of molecule is significant due to several factors:

* **Complexation:** Crown ethers are known for their ability to bind and encapsulate ions, especially metal ions. This makes them relevant in:
* **Catalysis:** They can act as catalysts by facilitating reactions involving specific ions.
* **Separation and Extraction:** They can be used to separate and extract metal ions from solutions.
* **Sensors:** They can bind to specific ions, leading to detectable changes that can be used in sensing applications.
* **Bioactivity:** Certain crown ethers have shown potential for biological applications like:
* **Drug Delivery:** Their ability to bind ions can be exploited to deliver drugs specifically to target cells.
* **Antimicrobial Activity:** Some crown ethers have been found to exhibit antimicrobial properties.
* **Biomimetic Studies:** They can mimic the behavior of biological systems like enzymes and transporters.

**Research Significance:**

The specific molecule you described is likely being studied to understand the impact of its specific structural features on its properties. Researchers might be interested in:

* **How the methyl group affects the molecule's complexation behavior.**
* **How the ethanol group influences its biological activity or interaction with cellular membranes.**
* **Whether the molecule can be used as a scaffold for developing new catalysts, sensors, or drugs.**

**Note:** Without more context or information about the research being conducted, it's impossible to definitively say why *this specific* molecule is being studied. However, its structure and potential applications point towards it being of interest within the field of supramolecular chemistry and potentially other related fields.

Cross-References

ID SourceID
PubMed CID651898
CHEMBL ID1420391
CHEBI ID114744

Synonyms (19)

Synonym
STL357196
1-(7-methyl-2,3,6,7,8,9,11,12-octahydro-5h-1,4,10,13,7-benzotetraoxazacyclopentadecin-15-yl)ethanol
MLS000029452
OPREA1_323920
1-(11-methyl-6,7,10,11,12,13,15,16-octahydro-9h-5,8,14,17-tetraoxa-11-aza-benzocyclopentadecen-2-yl)-ethanol
smr000009711
OPREA1_391052
CHEBI:114744
AKOS000678428
MLS002535863
1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol
1-(7-methyl-3,5,6,7,8,9,11,12-octahydro-2h-1,4,10,13,7-benzotetraoxazacyclopentadecin-15-yl)ethan-1-ol
HMS2298F15
AKOS021983237
CHEMBL1420391
Q27196150
sr-01000390005
SR-01000390005-1
315194-90-2
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aromatic etherAny ether in which the oxygen is attached to at least one aryl substituent.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (2)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency19.95260.044717.8581100.0000AID485294
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.12510.050127.073689.1251AID588590
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]