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.
ID Source | ID |
---|---|
PubMed CID | 3240537 |
CHEMBL ID | 1457753 |
CHEBI ID | 115634 |
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 |
Class | Description |
---|---|
indoles | Any 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Cruzipain | Trypanosoma cruzi | Potency | 39.8107 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 16.3601 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 31.6228 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 11.2202 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 50.1187 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 14.1254 | 0.0366 | 19.6376 | 50.1187 | AID1466; AID2242 |
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 5.0119 | 0.0398 | 16.7842 | 39.8107 | AID995 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 12.5893 | 0.0079 | 8.2332 | 1,122.0200 | AID2546 |
Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 14.1254 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 14.1254 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
[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) |
---|---|---|---|---|---|---|---|
calpain II, partial | Sus scrofa (pig) | IC50 (µMol) | 11.4538 | 1.7742 | 4.9338 | 7.7087 | AID1420 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
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. |
AID1745845 | 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] |