Page last updated: 2024-12-10

2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(3-methylphenyl)acetamide

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

2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(3-methylphenyl)acetamide is a complex organic molecule. It's likely a synthetic compound, meaning it doesn't naturally occur in nature.

**Here's a breakdown of its structure:**

* **2-(4-benzofuro[3,2-d]pyrimidinylthio):** This part of the molecule consists of:
* **Benzofuro[3,2-d]pyrimidine:** A fused ring system combining a benzene ring (C6H6) and a furan ring (C4H4O) with a pyrimidine ring (C4H4N2). This core structure is often found in molecules with potential biological activity.
* **Thio:** This refers to a sulfur atom (S) connected to the benzofuro[3,2-d]pyrimidine ring.

* **N-(3-methylphenyl)acetamide:** This part of the molecule consists of:
* **Acetamide:** A simple amide with a carbonyl group (C=O) attached to a nitrogen (N) and a methyl group (CH3).
* **(3-methylphenyl):** A benzene ring (C6H6) with a methyl group (CH3) attached to the third carbon atom of the ring.

**Importance for Research:**

Without further information about the specific research context, it's impossible to definitively state why this molecule is important. However, given its structure, it likely holds significance in one or more of the following areas:

* **Drug Discovery:** The benzofuro[3,2-d]pyrimidine core is often associated with compounds exhibiting biological activity. This molecule may be a candidate for pharmaceutical development, potentially showing activity against specific diseases or conditions.
* **Materials Science:** The molecule's complex structure could potentially lead to novel materials with unique properties, such as conductivity, luminescence, or mechanical strength.
* **Chemical Synthesis:** The synthesis of this molecule might be challenging, presenting interesting challenges in organic chemistry. It could serve as a model for exploring new synthetic routes or testing different reaction conditions.

**To understand its specific importance, you'd need additional information:**

* **The research area:** What specific field is this molecule being studied in (e.g., pharmacology, materials science, organic chemistry)?
* **The molecule's properties:** Does it exhibit any specific biological activities, physical properties, or reaction characteristics?
* **The research goals:** What is the overall objective of the research involving this molecule?

Without this context, it's difficult to assess the molecule's true importance.

Cross-References

ID SourceID
PubMed CID3452486
CHEMBL ID1431571
CHEBI ID108208

Synonyms (21)

Synonym
STL346008
UPCMLD0ENAT5791951:001
smr000016158
MLS000101480 ,
CHEBI:108208
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-n-(3-methylphenyl)acetamide
AB00431502-04
HMS1650I19
AKOS001367531
HMS2249I04
848734-08-7
2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-n-(m-tolyl)acetamide
F0596-0024
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-n-(3-methylphenyl)ethanamide
cid_3452486
2-(4-benzofuro[3,2-d]pyrimidinylthio)-n-(3-methylphenyl)acetamide
bdbm66160
CHEMBL1431571
Q27186894
Z82167147
n-(3-methylphenyl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide
[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 (11)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency2.51190.044717.8581100.0000AID485294
ClpPBacillus subtilisPotency31.62281.995322.673039.8107AID651965
TDP1 proteinHomo sapiens (human)Potency14.39790.000811.382244.6684AID686978; AID686979
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency25.92900.00419.984825.9290AID504444
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency28.18380.00419.962528.1838AID2675
relaxin receptor 1 isoform 1Homo sapiens (human)Potency39.81070.038814.350143.6206AID2676
neuropeptide S receptor isoform AHomo sapiens (human)Potency25.11890.015812.3113615.5000AID1461
Guanine nucleotide-binding protein GHomo sapiens (human)Potency21.42151.995325.532750.1187AID624287; AID624288
[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)
photoreceptor-specific nuclear receptorHomo sapiens (human)IC50 (µMol)39.84100.03742.93408.9620AID2758
nuclear receptor corepressor 2 isoform 2Homo sapiens (human)IC50 (µMol)3.35401.02504.36119.9550AID2759
peroxisome proliferator-activated receptor gamma isoform 2Homo sapiens (human)IC50 (µMol)3.35401.02504.36119.9550AID2759
[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 (16)

Assay IDTitleYearJournalArticle
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.
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.
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
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.
AID504787Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3): TR-FRET-based biochemical high throughput assay to identify agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear rec2006Assay and drug development technologies, Jun, Volume: 4, Issue:3
Development of the high throughput screening assay for identification of agonists of an orphan nuclear receptor.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
[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's5 (62.50)24.3611
2020's1 (12.50)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.07

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 Index12.07 (24.57)
Research Supply Index2.20 (2.92)
Research Growth Index4.27 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.07)

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]