The compound you described, **2-(1-benzimidazolyl)acetic acid [2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester**, is a complex organic molecule with potential applications in research, particularly in the field of **biochemistry and medicinal chemistry**.
Here's a breakdown of its structure and potential applications:
**Structure:**
* **2-(1-benzimidazolyl)acetic acid:** This part of the molecule contains a benzimidazole ring (a nitrogen-containing heterocycle) attached to an acetic acid group. Benzimidazole derivatives are known to exhibit various pharmacological activities, including anti-cancer, anti-viral, and anti-inflammatory properties.
* **[2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester:** This part of the molecule features an anthraquinone derivative (9,10-dioxo-1-anthracenyl) linked to an amino group and an ester group. Anthraquinone derivatives are often used as dyes and pigments, but some also exhibit biological activity.
**Potential Applications in Research:**
This molecule could be of interest for research for several reasons:
1. **Novel Drug Discovery:** The combination of a benzimidazole derivative and an anthraquinone derivative in a single molecule might lead to the development of novel drugs with unique pharmacological profiles.
2. **Probing Protein-Ligand Interactions:** The molecule's specific structure could be used as a probe to study interactions between proteins and ligands. This is relevant to drug discovery, as understanding these interactions is crucial for developing drugs that bind to specific targets.
3. **Bioconjugation and Biomaterial Development:** The ester functionality could be used for attaching this molecule to other biomolecules or materials, potentially leading to the development of new bioconjugates or biomaterials with specific properties.
**Importance in Research:**
The research value of this specific compound relies heavily on its biological activity and its potential applications in specific research areas. However, the combination of benzimidazole and anthraquinone derivatives within a single molecule presents interesting possibilities for exploring new biological functions and therapeutic applications.
**Note:** It's important to remember that this compound is purely hypothetical. Its exact properties and potential applications would require further investigation and characterization through experimental studies.
ID Source | ID |
---|---|
PubMed CID | 3931213 |
CHEMBL ID | 1579446 |
CHEBI ID | 107571 |
Synonym |
---|
smr000255653 |
MLS000389380 |
CHEBI:107571 |
AKOS001044330 |
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate |
HMS2523J15 |
CHEMBL1579446 |
Q27185896 |
2-(1-benzimidazolyl)acetic acid [2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester |
Class | Description |
---|---|
depsipeptide | A natural or synthetic compound having a sequence of amino and hydroxy carboxylic acid residues (usually alpha-amino and alpha-hydroxy acids), commonly but not necessarily regularly alternating. |
anthraquinone | |
[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) |
---|---|---|---|---|---|---|---|
glp-1 receptor, partial | Homo sapiens (human) | Potency | 12.5893 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 31.6228 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
TDP1 protein | Homo sapiens (human) | Potency | 17.5645 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 14.1254 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
Smad3 | Homo sapiens (human) | Potency | 17.7828 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 28.1838 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 12.5893 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 2.9093 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 60.1198 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
tumor susceptibility gene 101 protein | Homo sapiens (human) | Potency | 56.2341 | 0.1298 | 10.8331 | 32.6090 | AID493005 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 2.5119 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 100.0000 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 7.0795 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
histone acetyltransferase KAT2A isoform 1 | Homo sapiens (human) | Potency | 39.8107 | 0.2512 | 15.8432 | 39.8107 | AID504327 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
[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 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 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 (12.56) 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 | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |