Page last updated: 2024-12-10

1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester

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

The compound you're describing, **1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester**, is a synthetic molecule that has shown interesting activity in research. Let's break down its structure and importance:

**Structure:**

* **1-oxopropyl:** This refers to a three-carbon chain (propyl) with a ketone functional group (C=O) at the first carbon.
* **(4-chlorophenyl)thio:** This indicates a phenyl ring (a six-membered ring with alternating double bonds) with a chlorine atom at the fourth position and a sulfur atom directly attached to the ring. This sulfur atom is bonded to the carbonyl carbon of the 1-oxopropyl group.
* **4-piperidinecarboxylic acid ethyl ester:** This is a piperidine ring (a six-membered ring containing one nitrogen atom) with a carboxyl group (COOH) at the fourth position. The carboxyl group is further modified to have an ethyl ester group (COOEt) attached.

**Importance in Research:**

This compound, and similar ones, have been investigated for their potential therapeutic properties. Specifically, they are often explored as **potential inhibitors of inflammatory processes**. Here's why:

* **Anti-inflammatory Effects:** The molecule is believed to exert its anti-inflammatory effects by interacting with certain enzymes and signaling pathways involved in inflammation. This could potentially be useful for treating conditions like:
* **Arthritis:** This is a common inflammatory condition that can cause joint pain and stiffness.
* **Inflammatory Bowel Disease (IBD):** IBD is a chronic inflammatory condition that affects the gastrointestinal tract.
* **Asthma:** This is a chronic respiratory condition characterized by inflammation and narrowing of the airways.

* **Other Potential Applications:** Beyond inflammation, research into this type of compound has explored potential uses in:
* **Cancer research:** Some studies have shown that certain compounds in this class can exhibit anti-tumor activity.
* **Neurological disorders:** Some researchers are exploring the potential of these compounds for treating neurological diseases like Alzheimer's disease.

**Important Note:** While this compound shows promise in research, it is crucial to remember that:

* **It is not yet approved for any medical use.** Clinical trials are needed to determine safety and efficacy in humans.
* **There may be side effects and drug interactions associated with this compound.**

**If you're interested in learning more about the research on this compound, you can search online using its chemical name or explore scientific databases like PubMed. Remember to consult reliable sources of information.**

Cross-References

ID SourceID
PubMed CID3151135
CHEMBL ID1306646
CHEBI ID109163

Synonyms (14)

Synonym
MLS000121347
1-[2-(4-chloro-phenylsulfanyl)-propionyl]-piperidine-4-carboxylic acid ethyl ester
smr000118778
OPREA1_165571
CHEBI:109163
AKOS000387774
ethyl 1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxylate
CHEMBL1306646
ethyl 1-{2-[(4-chlorophenyl)sulfanyl]propanoyl}piperidine-4-carboxylate
STL254089
HMS2329B07
AKOS017010489
Q27188231
1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (2)

ClassDescription
piperidines
carboxylic acidA carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid.
[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 (6)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
glp-1 receptor, partialHomo sapiens (human)Potency10.00000.01846.806014.1254AID624417
TDP1 proteinHomo sapiens (human)Potency32.64270.000811.382244.6684AID686979
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency39.81070.011212.4002100.0000AID1030
gemininHomo sapiens (human)Potency6.30960.004611.374133.4983AID624297
survival motor neuron protein isoform dHomo sapiens (human)Potency35.48130.125912.234435.4813AID1458
Guanine nucleotide-binding protein GHomo sapiens (human)Potency50.11871.995325.532750.1187AID624287
[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.
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.
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
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.
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]