Page last updated: 2024-12-10

1-adamantanecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester

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

1-Adamantanecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester is a complex organic molecule with a unique structure. Let's break down its components and potential significance:

**Components:**

* **1-Adamantanecarboxylic acid:** This is a bicyclic saturated compound with a rigid cage-like structure. The carboxyl group (-COOH) attached to the adamantane cage provides the molecule with acidic properties.
* **[2-(2-furanylmethylamino)-2-oxoethyl] ester:** This part describes an ester linkage to a more complex substituent:
* **2-furanylmethylamino:** A furanyl group (a five-membered heterocyclic ring containing oxygen) is attached to a methylamine group. This combination often appears in bioactive molecules.
* **2-oxoethyl:** This is a keto group (C=O) attached to an ethyl group. This part provides the molecule with additional polarity and potential for interaction with other molecules.

**Potential Importance for Research:**

The combination of a rigid adamantane scaffold with a potentially bioactive furanylmethylamino moiety makes this compound interesting for various research areas:

* **Drug Development:** The rigid structure of adamantane can be used to create stable, conformationally restricted molecules. This could lead to:
* **Enhanced potency:** The rigid structure could allow for precise interaction with target proteins.
* **Increased selectivity:** This structure could help in targeting specific receptors or enzymes, reducing off-target effects.
* **Improved pharmacokinetic properties:** The hydrophobic nature of adamantane could improve drug absorption, distribution, and metabolism.
* **Materials Science:** The unique structure of adamantane and its ability to form stable derivatives could be used in:
* **Polymers:** Developing new polymers with high thermal stability and mechanical strength.
* **Nanomaterials:** Creating nano-sized structures with unique optical or electronic properties.
* **Organic Synthesis:** The compound could serve as a valuable building block for creating other complex molecules with potential biological activity.

**Further Research:**

To understand the full potential of this compound, further research is needed:

* **Biological Activity:** Testing its effects on various biological systems, including enzymes, receptors, and cell cultures.
* **Synthesis:** Optimizing the synthetic route to produce the compound efficiently and cost-effectively.
* **Pharmacokinetic Properties:** Investigating its absorption, distribution, metabolism, and excretion in living organisms.

**Important Note:** This compound has not been widely studied, and its actual biological activity and potential applications are unknown. It is crucial to conduct proper research before drawing conclusions about its importance.

Cross-References

ID SourceID
PubMed CID2998659
CHEMBL ID1414002
CHEBI ID92219

Synonyms (22)

Synonym
ENAMINE_002759
MLS000098157
smr000061266
IDI1_007106
OPREA1_714041
ml067
NCGC00039523-03
HMS1401N09
MLS002635969
[2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate
HMS2153J08
HMS3312H06
CHEMBL1414002
CHEBI:92219
Q27163988
1-adamantanecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
2-((furan-2-ylmethyl)amino)-2-oxoethyl adamantane-1-carboxylate
380487-05-8
CS-0069882
EN300-26934993
{[(furan-2-yl)methyl]carbamoyl}methyl adamantane-1-carboxylate
Z19816209
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
heteroareneA heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2).
[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 (15)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency56.23410.631035.7641100.0000AID504339
Chain A, Ferritin light chainEquus caballus (horse)Potency28.18385.623417.292931.6228AID485281
glp-1 receptor, partialHomo sapiens (human)Potency28.18380.01846.806014.1254AID624417
thioredoxin glutathione reductaseSchistosoma mansoniPotency56.23410.100022.9075100.0000AID485364
thyroid stimulating hormone receptorHomo sapiens (human)Potency6.99210.001318.074339.8107AID926; AID933; AID939
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency50.11870.707936.904389.1251AID504333
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency56.23410.036619.637650.1187AID1466; AID2242
DNA polymerase betaHomo sapiens (human)Potency14.12540.022421.010289.1251AID485314
mitogen-activated protein kinase 1Homo sapiens (human)Potency7.94330.039816.784239.8107AID995
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency75.68630.425612.059128.1838AID504891
DNA polymerase eta isoform 1Homo sapiens (human)Potency31.62280.100028.9256213.3130AID588591
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency19.95260.050127.073689.1251AID588590
DNA polymerase kappa isoform 1Homo sapiens (human)Potency89.12510.031622.3146100.0000AID588579
Neuronal acetylcholine receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency56.23413.548118.039535.4813AID1466
Neuronal acetylcholine receptor subunit beta-2Rattus norvegicus (Norway rat)Potency56.23413.548118.039535.4813AID1466
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (14)

Assay IDTitleYearJournalArticle
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
AID651635Viability Counterscreen for Primary 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.
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.
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.
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.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (16.67)29.6817
2010's4 (66.67)24.3611
2020's1 (16.67)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.35

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 Index12.35 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.30 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.35)

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%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]