Page last updated: 2024-12-09

1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]ethanone

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-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]ethanone**, is a complex organic molecule with a long and potentially confusing name. Let's break it down:

**Structure:**

* It's a **ketone** containing a carbonyl group (C=O).
* It contains a **pyrrole** ring, a five-membered ring with one nitrogen atom.
* It has various substituents on the pyrrole ring and the ketone moiety, including:
* An acetyl group (CH3CO-)
* Two methyl groups (CH3-)
* A difluoromethoxy group (CF2OCH3-)
* A methoxy group (OCH3-)
* A methylamino group (CH3NH-)
* A phenyl group (C6H5-)

**Importance in Research:**

The exact importance of this specific compound depends on the context of its research. However, given its complex structure and various functional groups, it could be of interest for several reasons:

* **Pharmacological Activity:** The combination of different functional groups could lead to interesting pharmacological properties, like:
* **Anti-inflammatory:** Compounds with pyrrole and phenyl moieties are known to have anti-inflammatory activity.
* **Anti-cancer:** The difluoromethoxy group might be associated with anticancer effects.
* **Antimicrobial:** The presence of specific substituents could make it effective against bacteria or fungi.
* **Material Science:** The compound might be useful in developing new materials with specific properties, such as:
* **Optical materials:** The pyrrole ring and its substituents could influence its optical properties.
* **Organic electronics:** The compound might contribute to the development of organic semiconductors or other electronic materials.
* **Synthesis and Chemical Reactions:** The complex structure presents a synthetic challenge, requiring specific reactions and conditions to be created. Studying its synthesis could lead to advancements in organic synthesis.

**To find out the exact importance of this compound, you'd need more context:**

* **Where did you find this name?** Was it from a scientific paper, a patent, or other research materials?
* **What research area is it associated with?** Is it related to drug discovery, material science, or something else?

By providing more information, we can better understand why this compound is important and what research questions it might be addressing.

Cross-References

ID SourceID
PubMed CID2112925
CHEMBL ID1344207
CHEBI ID120589

Synonyms (11)

Synonym
smr000066823
MLS000054890 ,
MLS000863998
CHEBI:120589
1-(4-acetyl-3,5-dimethyl-1h-pyrrol-2-yl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]ethanone
HMS2280H20
CHEMBL1344207
Q27208716
AKOS034390015
Z46375941
cid 2112925
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aromatic amineAn amino compound in which the amino group is linked directly to an aromatic system.
[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 (16)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency44.66840.004023.8416100.0000AID485290
phosphopantetheinyl transferaseBacillus subtilisPotency79.43280.141337.9142100.0000AID1490
ATAD5 protein, partialHomo sapiens (human)Potency4.10950.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency5.93110.000811.382244.6684AID686978; AID686979
thioredoxin glutathione reductaseSchistosoma mansoniPotency22.38720.100022.9075100.0000AID485364
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency3.54810.011212.4002100.0000AID1030
thyroid stimulating hormone receptorHomo sapiens (human)Potency19.95260.001318.074339.8107AID926; AID938
regulator of G-protein signaling 4Homo sapiens (human)Potency79.43280.531815.435837.6858AID504845
67.9K proteinVaccinia virusPotency35.48130.00018.4406100.0000AID720580
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency10.00000.035520.977089.1251AID504332
mitogen-activated protein kinase 1Homo sapiens (human)Potency7.94330.039816.784239.8107AID995
ras-related protein Rab-9AHomo sapiens (human)Potency3.98110.00022.621531.4954AID485297
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency2.81840.00798.23321,122.0200AID2546
survival motor neuron protein isoform dHomo sapiens (human)Potency4.46680.125912.234435.4813AID1458
transient receptor potential cation channel subfamily V member 1Homo sapiens (human)Potency102.75700.09120.09120.0912AID623958
lamin isoform A-delta10Homo sapiens (human)Potency11.22020.891312.067628.1838AID1487
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
[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]