Page last updated: 2024-12-09

1-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-4-piperidinecarboxylic acid methyl ester

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

You're asking about a compound with a rather complex name: **1-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-4-piperidinecarboxylic acid methyl ester**. This is a chemical compound that is likely a derivative of **coumarin**.

Here's a breakdown of the name and why it's important for research:

**1. Structure and Name Breakdown:**

* **Coumarin (2-oxo-1-benzopyran)** is a naturally occurring compound found in many plants, known for its sweet aroma.
* **oxo-(2-oxo-1-benzopyran-3-yl)methyl** indicates that a coumarin molecule has been modified:
* A carbonyl group (C=O) has been attached at the 3-position of the coumarin ring.
* This carbonyl group is then linked to a methylene (-CH2-) group.
* **1-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-4-piperidinecarboxylic acid** means this modified coumarin is attached to a piperidine ring (a six-membered heterocyclic ring containing nitrogen). The attachment is at position 1 of the piperidine ring. The 4-position on the piperidine ring also has a carboxylic acid group.
* **methyl ester** means the carboxylic acid group is converted into an ester by reacting it with methanol.

**2. Research Importance:**

**Coumarin derivatives** are well-known for their diverse pharmacological activities, including:

* **Anti-inflammatory:** Some coumarin derivatives have shown anti-inflammatory properties, potentially useful in treating conditions like arthritis.
* **Anticoagulant:** Warfarin, a well-known blood thinner, is a coumarin derivative.
* **Antibacterial and antifungal:** Certain coumarins exhibit antimicrobial properties, making them potential candidates for drug development.
* **Anti-cancer:** Research has suggested that some coumarins might possess anti-cancer activity, potentially affecting tumor growth.

**The specific compound you asked about, 1-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-4-piperidinecarboxylic acid methyl ester, is likely a synthetic derivative of coumarin. Its exact properties and research importance would depend on the specific study and researchers involved.**

**To understand its specific importance, you'd need to know more about the research context:**

* **What specific properties are being investigated?** (e.g., anti-inflammatory, antimicrobial, etc.)
* **What model systems are being used?** (e.g., cell cultures, animal models)
* **What are the researchers' goals?** (e.g., drug development, understanding biological mechanisms)

**Research papers and databases focusing on coumarin derivatives could provide more specific information about this compound's importance.**

Cross-References

ID SourceID
PubMed CID2235340
CHEMBL ID1416916
CHEBI ID108236

Synonyms (18)

Synonym
MLS000538604 ,
methyl 1-[(2-oxo-2h-chromen-3-yl)carbonyl]-4-piperidinecarboxylate
smr000144641
CHEBI:108236
AKOS002235540
methyl 1-(2-oxochromene-3-carbonyl)piperidine-4-carboxylate
STK852479
methyl 1-[(2-oxo-2h-chromen-3-yl)carbonyl]piperidine-4-carboxylate
HMS2445C04
methyl 1-(2-oxo-2h-chromene-3-carbonyl)piperidine-4-carboxylate
833433-76-4
F3055-0141
CHEMBL1416916
Q27186931
1-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-4-piperidinecarboxylic acid methyl ester
sr-01000298336
SR-01000298336-1
VU0159122-3
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
coumarins
[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)
LuciferasePhotinus pyralis (common eastern firefly)Potency21.33130.007215.758889.3584AID588342
ATAD5 protein, partialHomo sapiens (human)Potency19.47630.004110.890331.5287AID504466; AID504467
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency22.38720.035520.977089.1251AID504332
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency3.98110.01262.451825.0177AID485313
huntingtin isoform 2Homo sapiens (human)Potency5.62340.000618.41981,122.0200AID1688
ras-related protein Rab-9AHomo sapiens (human)Potency3.16230.00022.621531.4954AID485297
[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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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
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.
[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]