Page last updated: 2024-12-10

1-[2-(2-methoxyanilino)-2-oxoethyl]-2-benzofuro[3,2-b]pyrrolecarboxylic acid methyl ester

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

The compound you described, **1-[2-(2-methoxyanilino)-2-oxoethyl]-2-benzofuro[3,2-b]pyrrolecarboxylic acid methyl ester**, is a complex organic molecule with potential biological activity.

**Here's a breakdown of the structure and potential importance:**

* **Structure:**
* **Benzofuro[3,2-b]pyrrole:** This is a fused ring system containing a benzofuran moiety (a benzene ring fused to a furan) and a pyrrole ring.
* **Carboxylic acid methyl ester:** This indicates a -COOH group attached to the molecule, which is esterified with a methyl group (-CH3).
* **1-[2-(2-methoxyanilino)-2-oxoethyl]:** This side chain is attached to the pyrrole ring. It contains a 2-methoxyaniline group (aniline with a methoxy group attached) and a keto group (C=O).

**Potential Research Significance:**

* **Drug Discovery:** The complex structure of this compound suggests potential for interactions with biological targets. It may exhibit activity as:
* **An anticancer agent:** Many heterocyclic compounds like benzofurans and pyrroles show anti-tumor activity.
* **An anti-inflammatory agent:** The presence of a keto group and aromatic rings can contribute to anti-inflammatory properties.
* **A selective inhibitor of enzymes:** The specific structure could allow it to bind to and inhibit the activity of specific enzymes involved in disease processes.
* **Material Science:** Such organic compounds can potentially be used as building blocks for new materials with interesting properties.
* **Synthesis and Reactivity Studies:** The complex structure presents a challenge for synthesis and can be used to investigate new synthetic methods and study the reactivity of different functional groups.

**However, it's crucial to note:**

* **No Specific Research:** I cannot find any specific published research on this exact compound. This suggests it may be a novel compound or a synthetic intermediate.
* **Further Investigation Needed:** To understand its importance, researchers would need to:
* **Synthesize the compound:** This is the first step in investigating its properties.
* **Perform biological assays:** Testing the compound against different cell lines or enzymes to determine its potential activity.
* **Study its properties:** Investigate its physical and chemical characteristics.

In conclusion, 1-[2-(2-methoxyanilino)-2-oxoethyl]-2-benzofuro[3,2-b]pyrrolecarboxylic acid methyl ester is a promising candidate for further research due to its complex structure and potential for biological activity. More investigation is needed to determine its true significance.

Cross-References

ID SourceID
PubMed CID3238241
CHEMBL ID1384115
CHEBI ID111339

Synonyms (14)

Synonym
smr000029212
MLS000093594
methyl 1-{2-[(2-methoxyphenyl)amino]-2-oxoethyl}-1h-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
MLS001367460
CHEBI:111339
HMS1629F17
AKOS001872364
methyl 1-[2-(2-methoxyanilino)-2-oxoethyl]-1h-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
methyl 1-[2-(2-methoxyanilino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
HMS2159E14
HMS3318H19
CHEMBL1384115
1-[2-(2-methoxyanilino)-2-oxoethyl]-2-benzofuro[3,2-b]pyrrolecarboxylic acid methyl ester
Q27190957
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzofurans
[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 (6)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, HADH2 proteinHomo sapiens (human)Potency31.62280.025120.237639.8107AID886
Chain B, HADH2 proteinHomo sapiens (human)Potency31.62280.025120.237639.8107AID886
chaperonin-containing TCP-1 beta subunit homologHomo sapiens (human)Potency12.58933.981127.764939.8107AID504842
ATAD5 protein, partialHomo sapiens (human)Potency18.35640.004110.890331.5287AID504467
Guanine nucleotide-binding protein GHomo sapiens (human)Potency6.30961.995325.532750.1187AID624287
Inositol monophosphatase 1Rattus norvegicus (Norway rat)Potency1.12201.000010.475628.1838AID1457
[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 (15)

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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
AID651635Viability Counterscreen for Primary 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.
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.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & 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.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (14.29)29.6817
2010's5 (71.43)24.3611
2020's1 (14.29)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.20

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

This Compound (12.20)

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%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]