**2-(2-Methoxy-2-oxoethyl)-3-oxo-1-piperazinecarboxylic acid tert-butyl ester** is a synthetic compound that is a derivative of piperazine, a common heterocyclic ring system. It's not a naturally occurring compound, but rather a molecule designed and synthesized for specific research purposes.
**Here's a breakdown of the compound and its potential importance in research:**
* **Structure:**
* **Piperazine core:** The molecule features a piperazine ring, a six-membered ring containing two nitrogen atoms.
* **Substitutions:**
* A tert-butyl ester group is attached to the piperazine ring's nitrogen atom, potentially providing a protecting group or a point for further modification.
* A 3-oxo group is present on the piperazine ring, suggesting a potential for interactions with enzymes or other biological molecules.
* A 2-methoxy-2-oxoethyl group is attached to the piperazine ring, likely serving as a functional handle for further reactions or as a structural motif for binding to specific targets.
* **Potential Research Applications:**
* **Drug discovery:** The specific structure and functional groups of this compound suggest it could be used as a starting point for designing novel drugs. The piperazine ring is known to be a pharmacophore, a structural feature associated with biological activity. The other substituents could be modified to enhance its affinity for specific receptors or enzymes.
* **Chemical biology:** This compound could be used as a probe to investigate the biological activity of enzymes or proteins that interact with piperazine derivatives. For example, it could be used to identify and study the interactions between the molecule and target proteins, potentially leading to the development of new drugs or chemical tools.
* **Materials science:** This molecule's structure could be exploited to develop novel materials with specific properties.
**It's important to note:**
* The exact significance of this specific compound is dependent on the context of the research it is used in. Without knowing the research project or goals, it's difficult to pinpoint its precise importance.
* This compound might be a starting point for further modifications and derivatization to achieve desired properties or targets.
**To truly understand the importance of this compound, it's crucial to have more context regarding the specific research being conducted. This information would clarify the intended purpose and the significance of the molecule in the project.**
ID Source | ID |
---|---|
PubMed CID | 2986153 |
CHEMBL ID | 1424174 |
CHEBI ID | 93922 |
Synonym |
---|
HMS2592O07 |
CHEMDIV3_007287 |
IDI1_025197 |
smr000297038 |
tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxo-1-piperazinecarboxylate |
MLS000676155 |
NCGC00177783-01 |
AKOS000496905 |
STL064614 |
tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate |
BRD-A96272097-001-01-9 |
HMS1493L05 |
AKOS024246849 |
CHEMBL1424174 |
SR-01000302111-1 |
sr-01000302111 |
CHEBI:93922 |
Q27165675 |
2-(2-methoxy-2-oxoethyl)-3-oxo-1-piperazinecarboxylic acid tert-butyl ester |
Class | Description |
---|---|
organonitrogen compound | Any heteroorganic entity containing at least one carbon-nitrogen bond. |
organooxygen compound | An organochalcogen compound containing at least one carbon-oxygen bond. |
[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) |
---|---|---|---|---|---|---|---|
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 2.8184 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
[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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21 | Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. |
[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 (14.29) | 29.6817 |
2010's | 5 (71.43) | 24.3611 |
2020's | 1 (14.29) | 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 (12.20) 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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |