You're describing a rather specific compound, **1,3-benzothiazole-6-carboxylic acid (2-benzamido-2-oxoethyl) ester**. Let's break down its structure and potential significance:
**Structure:**
* **1,3-benzothiazole:** This is a heterocyclic aromatic ring system containing a benzene ring fused to a thiazole ring.
* **6-carboxylic acid:** A carboxyl group (-COOH) is attached to the 6th position of the benzothiazole ring.
* **(2-benzamido-2-oxoethyl) ester:** This is the ester portion of the molecule. It consists of a benzamide group (benzamide is a derivative of benzoic acid with an amide group) attached to a 2-oxoethyl (acetyl) group, which is then linked to the benzothiazole-6-carboxylic acid via an ester bond.
**Potential Significance in Research:**
This compound could be important in research due to its unique structure, which combines features of different functional groups. Here are some potential areas of research:
* **Drug Discovery:**
* **Anti-infective agents:** Benzothiazole derivatives are known to exhibit antimicrobial and antifungal properties. The presence of the carboxylic acid and benzamide groups could further modulate the compound's biological activity, making it a potential candidate for anti-infective drug development.
* **Anti-cancer agents:** Some benzamide derivatives have shown promising anti-cancer properties. The benzothiazole moiety could contribute to its interactions with cellular targets.
* **Anti-inflammatory agents:** The benzamide group is known to have anti-inflammatory effects. The compound could be investigated for its potential to modulate inflammation pathways.
* **Materials Science:**
* **Organic electronics:** Benzothiazoles are used in organic light-emitting diodes (OLEDs) and other organic electronic devices. The compound's structure could be tailored to create new materials with improved properties.
* **Analytical Chemistry:**
* **Fluorescence probes:** Benzothiazole derivatives are often fluorescent. The compound could be investigated as a potential fluorescent probe for specific biological or chemical targets.
**It's important to note:**
* **No specific research has been conducted on this exact compound.** The potential areas mentioned above are based on the properties of similar compounds and the structural features of the molecule.
* **Further investigation and experimentation are needed to determine the actual biological, chemical, and physical properties of 1,3-benzothiazole-6-carboxylic acid (2-benzamido-2-oxoethyl) ester.**
If you have any specific research questions related to this compound, it's best to consult with a chemist or researcher with expertise in organic chemistry and drug discovery.
ID Source | ID |
---|---|
PubMed CID | 2478326 |
CHEMBL ID | 1348042 |
CHEBI ID | 120990 |
Synonym |
---|
MLS000336532 |
smr000254086 |
CHEBI:120990 |
(2-benzamido-2-oxoethyl) 1,3-benzothiazole-6-carboxylate |
HMS2731H21 |
CHEMBL1348042 |
1,3-benzothiazole-6-carboxylic acid (2-benzamido-2-oxoethyl) ester |
Q27209224 |
Z15486013 |
AKOS033419764 |
Class | Description |
---|---|
benzothiazoles | |
[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, TYROSYL-DNA PHOSPHODIESTERASE | Homo sapiens (human) | Potency | 17.7828 | 0.0040 | 23.8416 | 100.0000 | AID485290 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 25.1189 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 22.3872 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 79.4328 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 56.2341 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 84.9214 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 100.0000 | 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 |
---|---|---|---|---|
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
[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] |