Page last updated: 2024-12-09

1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(4-chlorophenyl)methylthio]ethanone

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-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(4-chlorophenyl)methylthio]ethanone, is a synthetic molecule with a complex structure. It's not a well-known or widely studied compound, and its importance likely depends on the specific research context.

Here's a breakdown of the compound's structure and why it might be important:

**Structure:**

* **1-piperazinyl:** This part of the molecule indicates a piperazine ring, which is a six-membered ring containing nitrogen. This ring system is common in pharmaceutical compounds.
* **(1,3-benzodioxol-5-ylmethyl):** This part is a substituent on the piperazine ring. It includes a benzodioxole ring, which is a bicyclic aromatic ring system, and a methylene (CH2) group.
* **(4-chlorophenyl)methylthio:** This part is attached to a ketone group (C=O). It contains a phenyl ring (benzene ring) with a chlorine atom as a substituent and a methylthio (CH3S) group.

**Potential Importance for Research:**

Without specific research context, it's difficult to say definitively why this compound might be important. However, its structure suggests potential for various research areas:

* **Drug discovery:** The presence of the piperazine ring and the benzodioxole moiety are often associated with compounds exhibiting pharmacological activity. This compound might be a lead compound for the development of new drugs targeting various biological pathways.
* **Material science:** The combination of aromatic rings and sulfur-containing groups could make this compound useful for creating new materials with specific properties.
* **Chemical synthesis:** The synthesis of this molecule itself might be interesting for organic chemists as a challenging synthetic target.

**To learn more about the specific importance of this compound:**

* **Context is key:** You'll need to provide the research context or the study where this compound is mentioned.
* **Search databases:** Search chemical databases like PubChem or Reaxys using the compound's full name or its structure.
* **Contact researchers:** If you have access to research papers or specific publications, contact the authors or researchers involved in the study.

Remember that research is constantly evolving, and new discoveries about the importance of compounds can be made.

Cross-References

ID SourceID
PubMed CID1075874
CHEMBL ID1319704
CHEBI ID105399

Synonyms (16)

Synonym
smr000118912
1-(4-benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-2-(4-chloro-benzylsulfanyl)-ethanone
MLS000121490 ,
MLS002535576
CHEBI:105399
AKOS000387590
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(4-chlorophenyl)methylsulfanyl]ethanone
STL253644
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(4-chlorobenzyl)sulfanyl]ethanone
HMS2325K09
1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(4-chlorophenyl)methylthio]ethanone
bdbm44825
cid_1075874
2-[(4-chlorobenzyl)thio]-1-(4-piperonylpiperazino)ethanone
CHEMBL1319704
Q27183125
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzodioxoles
[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 (17)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency19.95260.044717.8581100.0000AID485341
glp-1 receptor, partialHomo sapiens (human)Potency10.00000.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency20.59620.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency29.09290.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency33.52780.180013.557439.8107AID1460; AID1468
glucocerebrosidaseHomo sapiens (human)Potency25.11890.01268.156944.6684AID2101
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency39.81070.035520.977089.1251AID504332
chromobox protein homolog 1Homo sapiens (human)Potency28.18380.006026.168889.1251AID540317
huntingtin isoform 2Homo sapiens (human)Potency14.12540.000618.41981,122.0200AID1688
mitogen-activated protein kinase 1Homo sapiens (human)Potency39.81070.039816.784239.8107AID1454
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency39.81070.050127.073689.1251AID588590
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency27.71700.00798.23321,122.0200AID2546; AID2551
gemininHomo sapiens (human)Potency7.30780.004611.374133.4983AID624296
survival motor neuron protein isoform dHomo sapiens (human)Potency19.95260.125912.234435.4813AID1458
lamin isoform A-delta10Homo sapiens (human)Potency15.84890.891312.067628.1838AID1487
neuropeptide S receptor isoform AHomo sapiens (human)Potency25.11890.015812.3113615.5000AID1461
Guanine nucleotide-binding protein GHomo sapiens (human)Potency28.18381.995325.532750.1187AID624287
[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
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
AID651635Viability 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]

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]