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.
ID Source | ID |
---|---|
PubMed CID | 3452486 |
CHEMBL ID | 1431571 |
CHEBI ID | 108208 |
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 |
Class | Description |
---|---|
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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 2.5119 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
ClpP | Bacillus subtilis | Potency | 31.6228 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
TDP1 protein | Homo sapiens (human) | Potency | 14.3979 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 25.9290 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 28.1838 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
relaxin receptor 1 isoform 1 | Homo sapiens (human) | Potency | 39.8107 | 0.0388 | 14.3501 | 43.6206 | AID2676 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 25.1189 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 21.4215 | 1.9953 | 25.5327 | 50.1187 | AID624287; 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) |
---|---|---|---|---|---|---|---|
photoreceptor-specific nuclear receptor | Homo sapiens (human) | IC50 (µMol) | 39.8410 | 0.0374 | 2.9340 | 8.9620 | AID2758 |
nuclear receptor corepressor 2 isoform 2 | Homo sapiens (human) | IC50 (µMol) | 3.3540 | 1.0250 | 4.3611 | 9.9550 | AID2759 |
peroxisome proliferator-activated receptor gamma isoform 2 | Homo sapiens (human) | IC50 (µMol) | 3.3540 | 1.0250 | 4.3611 | 9.9550 | AID2759 |
[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 |
---|---|---|---|---|
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
AID504787 | Counterscreen 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 rec | 2006 | Assay 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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & 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] |
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 | 5 (62.50) | 24.3611 |
2020's | 1 (12.50) | 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 (12.07) 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] |