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.
ID Source | ID |
---|---|
PubMed CID | 2998659 |
CHEMBL ID | 1414002 |
CHEBI ID | 92219 |
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 |
Class | Description |
---|---|
heteroarene | A 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 56.2341 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 28.1838 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 28.1838 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 56.2341 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 6.9921 | 0.0013 | 18.0743 | 39.8107 | AID926; AID933; AID939 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 50.1187 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 56.2341 | 0.0366 | 19.6376 | 50.1187 | AID1466; AID2242 |
DNA polymerase beta | Homo sapiens (human) | Potency | 14.1254 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 7.9433 | 0.0398 | 16.7842 | 39.8107 | AID995 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 75.6863 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 31.6228 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 19.9526 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
DNA polymerase kappa isoform 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0316 | 22.3146 | 100.0000 | AID588579 |
Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 56.2341 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 56.2341 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral 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] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 1 (16.67) | 29.6817 |
2010's | 4 (66.67) | 24.3611 |
2020's | 1 (16.67) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
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.
| This Compound (12.35) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 6 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |