Page last updated: 2024-12-10

1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone

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

You're describing a compound with a very specific chemical structure. It's important to understand that naming chemical compounds is based on a rigorous set of rules, and the name you provided suggests a complex molecule.

To understand its potential importance in research, we need to break down its structure and function.

**Let's analyze the name:**

* **1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl):** This part describes a substituted pyrrole ring.
* **Pyrrole:** A five-membered heterocyclic ring containing one nitrogen atom.
* **2,5-dimethyl:** Two methyl groups (CH3) are attached at the 2nd and 5th positions on the pyrrole ring.
* **1-prop-2-enyl:** A propylene group (CH2=CH-CH2) is attached at the 1st position of the pyrrole ring. The prop-2-enyl part indicates a double bond at the second carbon of the propylene chain.

* **2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone:** This part describes a substituted ethanone (a ketone).
* **Ethanone:** A simple ketone with the formula CH3COCH3.
* **2-[(6-methyl-2-nitro-3-pyridinyl)oxy]:** At the 2nd position of the ethanone, there's an oxygen atom connected to a pyridine ring.
* **Pyridine:** A six-membered heterocyclic ring containing one nitrogen atom.
* **6-methyl-2-nitro-3-pyridinyl:** The pyridine ring has a methyl group at the 6th position, a nitro group (NO2) at the 2nd position, and this whole group is attached to the ethanone through an oxygen atom.

**The Importance for Research:**

Without further information, it's impossible to definitively say why this particular compound is important for research. However, we can make some educated guesses based on its structure:

* **Potential Biological Activity:** The presence of a pyrrole ring, a pyridine ring, and a nitro group are often found in molecules with biological activity. Pyrroles are known for their involvement in various biological processes like porphyrin synthesis and antibiotic activity. Pyridines are common in pharmaceuticals, often acting as receptors or enzymes modulators. Nitro groups can be involved in redox reactions and can influence a molecule's electronic properties.
* **Potential for Drug Development:** The complex structure and possible biological activity make this compound an interesting candidate for drug development. Researchers may be interested in studying its effects on specific biological targets, its potential as a therapeutic agent, or its ability to act as a starting point for synthesizing new drug molecules.
* **Study of Chemical Reactions:** The presence of multiple functional groups (e.g., double bonds, nitro groups, ketones) creates opportunities to study various chemical reactions and transformations. This could be relevant to understanding the compound's behavior, synthesizing related molecules, or developing new chemical synthesis methodologies.

**To understand the specific research significance of this compound, you'd need more context:**

* **Where did you find this name?** Is it from a research paper, a database, or a synthesis project?
* **What is the research area of interest?** This will help narrow down the potential reasons for its importance.

I hope this analysis provides a starting point for your understanding.

Cross-References

ID SourceID
PubMed CID4354817
CHEMBL ID1366153
CHEBI ID104923

Synonyms (18)

Synonym
1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone
MLS000389606 ,
smr000255880
CHEBI:104923
1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(6-methyl-2-nitropyridin-3-yl)oxyethanone
HMS2527F12
AB00563045-02
AB00563045-06
Z24763974
sr-01000049778
SR-01000049778-1
CHEMBL1366153
1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone
cid_4354817
bdbm59524
Q27182591
AKOS033924348
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
C-nitro compoundA nitro compound having the nitro group (-NO2) attached to a carbon atom.
[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 (27)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency56.23410.631035.7641100.0000AID504339
LuciferasePhotinus pyralis (common eastern firefly)Potency21.33130.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency3.98110.01846.806014.1254AID624417
ClpPBacillus subtilisPotency3.98111.995322.673039.8107AID651965
ATAD5 protein, partialHomo sapiens (human)Potency19.70770.004110.890331.5287AID504466; AID504467
TDP1 proteinHomo sapiens (human)Potency19.47630.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency22.38720.180013.557439.8107AID1460
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency35.48130.011212.4002100.0000AID1030
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency89.12510.707936.904389.1251AID504333
P53Homo sapiens (human)Potency79.43280.07319.685831.6228AID504706
IDH1Homo sapiens (human)Potency29.09290.005210.865235.4813AID686970
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency14.12540.035520.977089.1251AID504332
chromobox protein homolog 1Homo sapiens (human)Potency70.79460.006026.168889.1251AID540317
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency7.30780.00419.984825.9290AID504444
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency22.38723.548119.542744.6684AID743266
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.12510.050127.073689.1251AID588590
gemininHomo sapiens (human)Potency23.72460.004611.374133.4983AID624296; AID624297
survival motor neuron protein isoform dHomo sapiens (human)Potency11.22020.125912.234435.4813AID1458
lamin isoform A-delta10Homo sapiens (human)Potency17.78280.891312.067628.1838AID1487
TAR DNA-binding protein 43Homo sapiens (human)Potency15.84891.778316.208135.4813AID652104
[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)
photoreceptor-specific nuclear receptorHomo sapiens (human)IC50 (µMol)4.69400.03742.93408.9620AID624394
tumor necrosis factorHomo sapiens (human)IC50 (µMol)5.77900.07935.809814.7275AID2485
nuclear receptor coactivator 1 isoform 1 [Homo sapiens]Homo sapiens (human)IC50 (µMol)35.87501.15306.28039.9630AID602168
transactivating tegument protein VP16 [Human herpesvirus 1]Human alphaherpesvirus 1 (Herpes simplex virus type 1)IC50 (µMol)7.56050.94604.70169.4870AID602167; AID624395
nucleotide-binding oligomerization domain-containing protein 2 isoform 1Homo sapiens (human)IC50 (µMol)20.00001.14607.137219.7000AID2001
nuclear receptor coactivator 3 isoform aHomo sapiens (human)IC50 (µMol)35.87500.14764.33099.9200AID602166
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
nucleotide-binding oligomerization domain-containing protein 1 isoform 1Homo sapiens (human)EC50 (µMol)20.00000.17007.258418.7000AID1578
nucleotide-binding oligomerization domain-containing protein 2 isoform 1Homo sapiens (human)EC50 (µMol)6.96002.170010.149217.6000AID1566
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (18)

Processvia Protein(s)Taxonomy
negative regulation of protein phosphorylationTAR DNA-binding protein 43Homo sapiens (human)
mRNA processingTAR DNA-binding protein 43Homo sapiens (human)
RNA splicingTAR DNA-binding protein 43Homo sapiens (human)
negative regulation of gene expressionTAR DNA-binding protein 43Homo sapiens (human)
regulation of protein stabilityTAR DNA-binding protein 43Homo sapiens (human)
positive regulation of insulin secretionTAR DNA-binding protein 43Homo sapiens (human)
response to endoplasmic reticulum stressTAR DNA-binding protein 43Homo sapiens (human)
positive regulation of protein import into nucleusTAR DNA-binding protein 43Homo sapiens (human)
regulation of circadian rhythmTAR DNA-binding protein 43Homo sapiens (human)
regulation of apoptotic processTAR DNA-binding protein 43Homo sapiens (human)
negative regulation by host of viral transcriptionTAR DNA-binding protein 43Homo sapiens (human)
rhythmic processTAR DNA-binding protein 43Homo sapiens (human)
regulation of cell cycleTAR DNA-binding protein 43Homo sapiens (human)
3'-UTR-mediated mRNA destabilizationTAR DNA-binding protein 43Homo sapiens (human)
3'-UTR-mediated mRNA stabilizationTAR DNA-binding protein 43Homo sapiens (human)
nuclear inner membrane organizationTAR DNA-binding protein 43Homo sapiens (human)
amyloid fibril formationTAR DNA-binding protein 43Homo sapiens (human)
regulation of gene expressionTAR DNA-binding protein 43Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (10)

Processvia Protein(s)Taxonomy
RNA polymerase II cis-regulatory region sequence-specific DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
double-stranded DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
RNA bindingTAR DNA-binding protein 43Homo sapiens (human)
mRNA 3'-UTR bindingTAR DNA-binding protein 43Homo sapiens (human)
protein bindingTAR DNA-binding protein 43Homo sapiens (human)
lipid bindingTAR DNA-binding protein 43Homo sapiens (human)
identical protein bindingTAR DNA-binding protein 43Homo sapiens (human)
pre-mRNA intronic bindingTAR DNA-binding protein 43Homo sapiens (human)
molecular condensate scaffold activityTAR DNA-binding protein 43Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (9)

Processvia Protein(s)Taxonomy
intracellular non-membrane-bounded organelleTAR DNA-binding protein 43Homo sapiens (human)
nucleusTAR DNA-binding protein 43Homo sapiens (human)
nucleoplasmTAR DNA-binding protein 43Homo sapiens (human)
perichromatin fibrilsTAR DNA-binding protein 43Homo sapiens (human)
mitochondrionTAR DNA-binding protein 43Homo sapiens (human)
cytoplasmic stress granuleTAR DNA-binding protein 43Homo sapiens (human)
nuclear speckTAR DNA-binding protein 43Homo sapiens (human)
interchromatin granuleTAR DNA-binding protein 43Homo sapiens (human)
nucleoplasmTAR DNA-binding protein 43Homo sapiens (human)
chromatinTAR DNA-binding protein 43Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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]