You're asking about a specific chemical compound: **[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone**.
This compound is quite complex, and understanding its importance requires some background knowledge. Here's a breakdown:
**1. Structure:**
* **[1]benzothiolo[2,3-d]pyrimidin:** This indicates a fused ring system with a thiophene ring (sulfur-containing) attached to a pyrimidine ring (nitrogen-containing).
* **tetrahydro:** This means the benzothiolopyrimidine ring system has four hydrogen atoms added, likely saturating double bonds.
* **2-methyl:** A methyl group (CH3) is attached at the 2-position of the benzothiolopyrimidine ring.
* **4-yl:** This indicates that the benzothiolopyrimidine ring is attached to a piperazine ring at position 4.
* **1-piperazinyl:** This is a nitrogen-containing heterocyclic ring.
* **thiophen-2-ylmethanone:** This part indicates a thiophene ring with a carbonyl group (C=O) attached at the 2-position.
**2. Potential Importance for Research:**
Without specific research context, it's difficult to definitively state the compound's importance. However, its structure suggests several potential applications:
* **Pharmaceutical Research:** The compound's complex structure with multiple heterocycles, including a thiophene and pyrimidine, is a common feature of drug candidates. Its potential to interact with biological targets (proteins, enzymes) makes it interesting for pharmaceutical research, especially in areas like:
* **Anti-cancer drugs:** Many drugs targeting cancer cells contain fused ring systems with nitrogen and sulfur atoms.
* **Anti-infective agents:** Some compounds with similar structural features exhibit antibacterial or antiviral properties.
* **Central nervous system drugs:** The piperazine ring is often found in drugs affecting neurotransmitters and brain function.
* **Materials Science:** The presence of sulfur and nitrogen atoms could make this compound useful for:
* **Polymer synthesis:** Sulfur and nitrogen are common elements in polymer building blocks, potentially leading to novel materials.
* **Organic electronics:** Thiophenes are well-known for their conductive properties and are frequently used in organic electronic materials.
**To understand the specific importance of this compound, you need additional information:**
* **What research field is it being investigated in?** (e.g., medicinal chemistry, materials science)
* **What biological targets is it being tested against?** (e.g., specific enzymes, receptors)
* **What are the results of the research?** (e.g., activity, selectivity, toxicity)
Without this information, it's impossible to determine the significance of this specific chemical compound.
ID Source | ID |
---|---|
PubMed CID | 1434956 |
CHEMBL ID | 1386647 |
CHEBI ID | 93323 |
Synonym |
---|
OPREA1_869416 |
OPREA1_601583 |
smr000600243 |
[4-(2-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-piperazin-1-yl]-thiophen-2-yl-methanone |
MLS001219990 |
MLS-0354783.0001 , |
AKOS000704445 |
[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone |
HMS2919A11 |
MLS003183107 |
[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone |
bdbm76037 |
cid_1434956 |
[4-(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]-(2-thienyl)methanone |
[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-yl-methanone |
CHEMBL1386647 |
[4-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino](2-thienyl)methanone |
CHEBI:93323 |
sr-01000338975 |
SR-01000338975-1 |
Q27165038 |
Class | Description |
---|---|
N-arylpiperazine | |
[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 | 35.4813 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 19.9526 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 32.6294 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 22.7265 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
isocitrate dehydrogenase 1, partial | Homo sapiens (human) | Potency | 44.6684 | 6.3096 | 27.0990 | 79.4328 | AID602179 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 11.2202 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
67.9K protein | Vaccinia virus | Potency | 22.8741 | 0.0001 | 8.4406 | 100.0000 | AID720579; AID720580 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 18.3564 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
geminin | Homo sapiens (human) | Potency | 25.9290 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 39.8107 | 6.3096 | 60.2008 | 112.2020 | AID720709 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 31.6228 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) | Potency | 89.1251 | 3.9811 | 46.7448 | 112.2020 | AID720708 |
[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) |
---|---|---|---|---|---|---|---|
Cannabinoid receptor 1 (brain) | Homo sapiens (human) | IC50 (µMol) | 3.9400 | 2.2300 | 5.2578 | 9.6000 | AID485285 |
G-protein coupled receptor 35 isoform a | Homo sapiens (human) | IC50 (µMol) | 32.0000 | 0.1600 | 2.3019 | 7.6600 | AID485283 |
G-protein coupled receptor 55 | Homo sapiens (human) | IC50 (µMol) | 4.1300 | 0.1250 | 2.5860 | 9.7907 | AID485287 |
[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) |
---|---|---|---|---|---|---|---|
G-protein coupled receptor 35 isoform a | Homo sapiens (human) | EC50 (µMol) | 32.0000 | 5.2300 | 5.2300 | 5.2300 | AID485286 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
[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 | 1 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 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 (12.56) 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 | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |