Page last updated: 2024-12-10

(4-methyl-1-piperazinyl)-(2-thieno[3,2-b][1]benzothiolyl)methanone

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, **(4-methyl-1-piperazinyl)-(2-thieno[3,2-b][1]benzothiolyl)methanone**, is a complex organic molecule with potential applications in research. Let's break down its structure and potential significance:

**Structure and Composition:**

* **4-methyl-1-piperazinyl:** This part is a substituted piperazine ring, a common heterocyclic structure found in many pharmaceuticals. The 4-methyl indicates a methyl group attached to the 4th position of the piperazine ring.
* **(2-thieno[3,2-b][1]benzothiolyl)methanone:** This is a more complex part.
* **Thieno[3,2-b][1]benzothiolyl:** This describes a fused ring system combining a thiophene (a sulfur-containing five-membered ring) and a benzothiophene (a sulfur-containing six-membered ring attached to a benzene ring).
* **(2-)** indicates that the thiophene portion is attached at the 2nd position of the benzothiophene ring.
* **Methanone:** This is the carbonyl group (C=O) that connects the two parts of the molecule.

**Potential Research Importance:**

While I can't provide specific research findings, based on the structure, this compound could be important in several research areas:

* **Pharmacology:**
* The piperazine ring is often present in compounds that interact with neurotransmitter receptors, potentially affecting the nervous system. This compound could be investigated for its potential as a drug candidate for conditions like depression, anxiety, or epilepsy.
* The presence of the sulfur-containing rings could lead to activity against various biological targets, potentially impacting inflammation, cancer, or bacterial infections.
* **Material Science:**
* The thiophene and benzothiophene rings are known for their electron-rich properties. This molecule could be explored as a building block for organic electronic materials, such as organic light-emitting diodes (OLEDs) or organic solar cells.
* **Analytical Chemistry:**
* The unique structure of this compound could make it useful as a probe molecule for studying various chemical reactions or processes.

**Important Considerations:**

* **Synthesis and Characterization:** The first step in researching this compound is to synthesize it, purify it, and determine its structure and properties using techniques like NMR spectroscopy and mass spectrometry.
* **Biological Activity:** Extensive testing is necessary to determine if the compound exhibits any significant biological activity, and if so, to identify its specific targets and mechanisms of action.
* **Toxicity and Safety:** Before any potential therapeutic or industrial applications, thorough toxicity and safety studies must be conducted to ensure the compound is safe for use.

**In conclusion:** (4-methyl-1-piperazinyl)-(2-thieno[3,2-b][1]benzothiolyl)methanone is a complex molecule with potential for research in various fields, particularly pharmacology and material science. Its exact importance will depend on the results of further investigation.

Cross-References

ID SourceID
PubMed CID4385641
CHEMBL ID1527010
CHEBI ID109367

Synonyms (18)

Synonym
OPREA1_709912
MLS000767776 ,
benzo[b]thieno[2,3-d]thiophen-2-yl-(4-methyl-piperazin-1-yl)-methanone
smr000430105
CHEBI:109367
AKOS001232918
STK869408
(4-methylpiperazin-1-yl)(thieno[3,2-b][1]benzothiophen-2-yl)methanone
(4-methylpiperazin-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone
HMS2812P24
(4-methylpiperazin-1-yl)-thieno[3,2-b][1]benzothiol-2-yl-methanone
bdbm72675
(4-methyl-1-piperazinyl)-(2-thieno[3,2-b][1]benzothiolyl)methanone
cid_4385641
(4-methylpiperazino)-thieno[3,2-b]benzothiophen-2-yl-methanone
CHEMBL1527010
Q27188480
Z56784135
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
1-benzothiophenes
[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 (18)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency22.38720.044717.8581100.0000AID485341
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency31.62280.177814.390939.8107AID2147
LuciferasePhotinus pyralis (common eastern firefly)Potency3.01310.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency14.12540.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency3.20890.004110.890331.5287AID504466; AID504467
TDP1 proteinHomo sapiens (human)Potency25.92900.000811.382244.6684AID686978
glucocerebrosidaseHomo sapiens (human)Potency11.22020.01268.156944.6684AID2101
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency0.63100.01262.451825.0177AID485313
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency3.26430.00419.984825.9290AID504444
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency50.11873.548119.542744.6684AID743266
importin subunit beta-1 isoform 1Homo sapiens (human)Potency2.05965.804836.130665.1308AID540253
ras-related protein Rab-9AHomo sapiens (human)Potency0.70790.00022.621531.4954AID485297
snurportin-1Homo sapiens (human)Potency2.05965.804836.130665.1308AID540253
GTP-binding nuclear protein Ran isoform 1Homo sapiens (human)Potency2.05965.804816.996225.9290AID540253
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency100.00000.050127.073689.1251AID588590
Guanine nucleotide-binding protein GHomo sapiens (human)Potency11.22021.995325.532750.1187AID624287
[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]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Hsf1 proteinMus musculus (house mouse)EC50 (µMol)260.00000.160024.4900236.5000AID435004
[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 (13)

Assay IDTitleYearJournalArticle
AID651635Viability Counterscreen for Primary 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.
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.
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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 Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

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%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]