You're asking about a compound with a rather complex chemical name: **2-({[2-acetyl-5-(tert-butyl)-3-thienyl]amino}carbonyl)benzoic acid**. Let's break it down and discuss its potential importance in research.
**Understanding the Structure:**
* **2-({[2-acetyl-5-(tert-butyl)-3-thienyl]amino}carbonyl)benzoic acid** is an organic molecule.
* It contains a benzene ring (the benzoic acid part) with a carboxylic acid group attached.
* This benzene ring is linked to another ring system called a thiophene (the 3-thienyl part), which has a sulfur atom in its ring.
* Attached to the thiophene are several substituents:
* An acetyl group (CH3CO-)
* A tert-butyl group (C(CH3)3)
* An amide group (CONH-) connecting the two rings
**Potential Research Importance:**
While the exact uses of this specific compound are not widely documented, its structure suggests potential applications in various research areas:
* **Medicinal Chemistry:** The presence of the carboxylic acid group and the diverse substituents on the thiophene ring could make this compound a potential candidate for:
* **Drug discovery:** Its structure may interact with specific biological targets, leading to therapeutic effects.
* **Probing biological processes:** It could serve as a tool to study enzyme activity or receptor binding.
* **Materials Science:** The combination of aromatic rings and functional groups can contribute to:
* **Polymer synthesis:** This compound could be used as a building block for polymers with unique properties.
* **Organic electronics:** Its electronic structure might be suitable for use in devices like organic light-emitting diodes (OLEDs).
**To truly understand its importance, more information is needed:**
* **Specific research goals:** What are the researchers trying to achieve with this compound?
* **Synthesis and characterization:** How was this compound synthesized and what are its physical and chemical properties?
* **Biological activity:** Does it exhibit any biological activity (e.g., pharmacological effects, enzyme inhibition)?
**In summary:**
2-({[2-acetyl-5-(tert-butyl)-3-thienyl]amino}carbonyl)benzoic acid is a complex organic molecule with potential for research in various fields like medicinal chemistry and materials science. However, to determine its true importance, further investigation is needed.
ID Source | ID |
---|---|
PubMed CID | 2808307 |
CHEMBL ID | 1162415 |
CHEBI ID | 189464 |
Synonym |
---|
SR-01000643312-1 |
2-({[2-acetyl-5-(tert-butyl)-3-thienyl]amino}carbonyl)benzoic acid |
smr000455975 |
MLS000849957 |
CHEMBL1162415 |
2-[(2-acetyl-5-tert-butylthiophen-3-yl)carbamoyl]benzoic acid |
CHEBI:189464 |
CCG-54200 |
HMS2809D24 |
Class | Description |
---|---|
benzoic acids | Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group. |
[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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 3.5481 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Chain A, Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | 17.7407 | 0.1409 | 11.1940 | 39.8107 | AID2451 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 20.5878 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
GLS protein | Homo sapiens (human) | Potency | 11.2202 | 0.3548 | 7.9355 | 39.8107 | AID624170 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 35.4813 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
geminin | Homo sapiens (human) | Potency | 0.2311 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 6.3096 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
relaxin receptor 1 isoform 1 | Homo sapiens (human) | Potency | 15.8489 | 0.0388 | 14.3501 | 43.6206 | AID2676 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 5.5146 | 0.0158 | 12.3113 | 615.5000 | AID1461; AID1489; AID1491; AID2567; AID2568 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 11.2202 | 1.9953 | 25.5327 | 50.1187 | AID624288 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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 | |||
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
AID368578 | Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay | 2009 | Bioorganic & medicinal chemistry letters, Feb-01, Volume: 19, Issue:3 | Discovery of novel inhibitors of Trypanosoma cruzi trans-sialidase from in silico screening. |
AID368572 | Inhibition of Trypanosoma cruzi trans-Sialidase at 1 mM by MuNANA assay | 2009 | Bioorganic & medicinal chemistry letters, Feb-01, Volume: 19, Issue:3 | Discovery of novel inhibitors of Trypanosoma cruzi trans-sialidase from in silico screening. |
AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2014 | Journal of biomolecular screening, Jul, Volume: 19, Issue:6 | A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum. |
AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | |||
[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 | 2 (25.00) | 29.6817 |
2010's | 4 (50.00) | 24.3611 |
2020's | 2 (25.00) | 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 (12.08) 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 | 8 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |