Page last updated: 2024-12-10

1-[[5-bromo-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindol-7-yl]sulfonyl]-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 described, **1-[[5-bromo-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindol-7-yl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester**, is a complex organic molecule with a specific structure.

While I cannot provide a definitive answer about its specific importance in research without additional information, here's a breakdown of its features and potential relevance based on its chemical structure:

**Structural Features:**

* **Indole core:** The molecule contains a 2,3-dihydroindole ring, which is a common pharmacophore found in various biologically active molecules.
* **Sulfonyl group:** The presence of a sulfonyl group (SO2) is often associated with enhanced drug-like properties, including increased stability and potential for binding to protein targets.
* **Piperidine ring:** The piperidine ring is a cyclic amine frequently incorporated into drug molecules, often contributing to interactions with receptors.
* **Cyclopropyl(oxo)methyl group:** This substituent adds complexity to the molecule and may influence its interactions with biological systems.
* **Bromo substituent:** The bromine atom, often used in medicinal chemistry, can modify the molecule's properties and potentially enhance its target selectivity.
* **Ethyl ester:** The ethyl ester is a functional group commonly used to improve drug absorption and bioavailability.

**Potential Research Significance:**

Based on its structure, this compound could potentially be:

* **A lead compound for drug discovery:** The presence of multiple pharmacophores suggests it might exhibit biological activity, possibly targeting a specific protein or pathway.
* **A tool for studying biological pathways:** The compound could be used as a probe to understand the roles of certain proteins or enzymes involved in specific biological processes.
* **A starting point for chemical synthesis:** The molecule's structure could serve as a foundation for synthesizing new derivatives with potentially enhanced properties or therapeutic applications.

**To determine its specific research importance, more information is needed, such as:**

* **The specific research area or project:** What is the focus of the research?
* **The biological target:** Does the compound interact with a particular protein or receptor?
* **The observed biological activity:** Does the compound exhibit any effects on cells, tissues, or organisms?
* **The potential therapeutic applications:** Could the compound be used for treating a specific disease?

**Finding more information:**

To learn more about the research significance of this specific compound, you might try:

* **Searching scientific databases:** Use keywords like chemical structure, biological activity, or therapeutic potential along with the compound's name.
* **Checking academic journals:** Look for publications in relevant fields like medicinal chemistry, pharmacology, or drug discovery.
* **Consulting with experts in the field:** Reach out to researchers or chemists specializing in the area of interest.

By gathering more context and conducting further research, you can better understand the potential importance of this compound for scientific advancements.

Cross-References

ID SourceID
PubMed CID3240537
CHEMBL ID1457753
CHEBI ID115634

Synonyms (13)

Synonym
smr000022398
ethyl 1-{[5-bromo-1-(cyclopropylcarbonyl)-2,3-dihydro-1h-indol-7-yl]sulfonyl}piperidine-4-carboxylate
MLS000086503
EU-0055591
MLS000879090
CHEBI:115634
AKOS001765786
ethyl 1-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]piperidine-4-carboxylate
CCG-26808
HMS2357B21
CHEMBL1457753
Q27197976
1-[[5-bromo-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindol-7-yl]sulfonyl]-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 (1)

ClassDescription
indolesAny compound containing an indole skeleton.
[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 (11)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, CruzipainTrypanosoma cruziPotency39.81070.002014.677939.8107AID1476
ATAD5 protein, partialHomo sapiens (human)Potency16.36010.004110.890331.5287AID504467
thyroid stimulating hormone receptorHomo sapiens (human)Potency31.62280.001318.074339.8107AID926; AID938
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency11.22020.28189.721235.4813AID2326
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency50.11870.035520.977089.1251AID504332
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency14.12540.036619.637650.1187AID1466; AID2242
mitogen-activated protein kinase 1Homo sapiens (human)Potency5.01190.039816.784239.8107AID995
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency12.58930.00798.23321,122.0200AID2546
Neuronal acetylcholine receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency14.12543.548118.039535.4813AID1466
Neuronal acetylcholine receptor subunit beta-2Rattus norvegicus (Norway rat)Potency14.12543.548118.039535.4813AID1466
[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)
calpain II, partialSus scrofa (pig)IC50 (µMol)11.45381.77424.93387.7087AID1420
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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
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.
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.
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
[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]