Page last updated: 2024-12-10

2-({[2-acetyl-5-(tert-butyl)-3-thienyl]amino}carbonyl)benzoic acid

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

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.

Cross-References

ID SourceID
PubMed CID2808307
CHEMBL ID1162415
CHEBI ID189464

Synonyms (9)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzoic acidsAny 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 Targets (12)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency3.54810.003245.467312,589.2998AID2517
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency17.74070.140911.194039.8107AID2451
ATAD5 protein, partialHomo sapiens (human)Potency20.58780.004110.890331.5287AID504467
GLS proteinHomo sapiens (human)Potency11.22020.35487.935539.8107AID624170
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.12510.050127.073689.1251AID588590
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency35.48130.00798.23321,122.0200AID2551
gemininHomo sapiens (human)Potency0.23110.004611.374133.4983AID624297
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency6.30960.00419.962528.1838AID2675
relaxin receptor 1 isoform 1Homo sapiens (human)Potency15.84890.038814.350143.6206AID2676
neuropeptide S receptor isoform AHomo sapiens (human)Potency5.51460.015812.3113615.5000AID1461; AID1489; AID1491; AID2567; AID2568
Guanine nucleotide-binding protein GHomo sapiens (human)Potency11.22021.995325.532750.1187AID624288
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (5)

Processvia Protein(s)Taxonomy
negative regulation of inflammatory response to antigenic stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
renal water homeostasisGuanine nucleotide-binding protein GHomo sapiens (human)
G protein-coupled receptor signaling pathwayGuanine nucleotide-binding protein GHomo sapiens (human)
regulation of insulin secretionGuanine nucleotide-binding protein GHomo sapiens (human)
cellular response to glucagon stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Processvia Protein(s)Taxonomy
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (1)

Processvia Protein(s)Taxonomy
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (17)

Assay IDTitleYearJournalArticle
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID368578Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay2009Bioorganic & medicinal chemistry letters, Feb-01, Volume: 19, Issue:3
Discovery of novel inhibitors of Trypanosoma cruzi trans-sialidase from in silico screening.
AID368572Inhibition of Trypanosoma cruzi trans-Sialidase at 1 mM by MuNANA assay2009Bioorganic & medicinal chemistry letters, Feb-01, Volume: 19, Issue:3
Discovery of novel inhibitors of Trypanosoma cruzi trans-sialidase from in silico screening.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).2014Journal of biomolecular screening, Jul, Volume: 19, Issue:6
A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808Fluorescence-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]

Research

Studies (8)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's2 (25.00)29.6817
2010's4 (50.00)24.3611
2020's2 (25.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.08

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.

MetricThis Compound (vs All)
Research Demand Index12.08 (24.57)
Research Supply Index2.20 (2.92)
Research Growth Index4.28 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.08)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other8 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]