Page last updated: 2024-12-09

1-[4-[(2-bromophenyl)-oxomethyl]-1H-pyrrol-2-yl]-2,2,2-trichloroethanone

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-[(2-bromophenyl)-oxomethyl]-1H-pyrrol-2-yl]-2,2,2-trichloroethanone**, is a complex organic molecule. Here's a breakdown of its components and potential significance:

**Structure and Components:**

* **1H-pyrrole:** A five-membered aromatic ring containing one nitrogen atom.
* **2-bromophenyl:** A benzene ring with a bromine atom attached at the 2 position.
* **Oxomethyl:** This part refers to a carbonyl group (C=O) connected to the phenyl ring.
* **2,2,2-trichloroethanone:** A chlorinated derivative of acetone (methyl ketone).

**Potential Significance in Research:**

This compound's complexity suggests it might be of interest in various fields:

* **Medicinal Chemistry:** The presence of a pyrrole ring and a bromophenyl group are common features in drug candidates. This compound could be explored as a potential lead compound for developing new drugs. It's possible it could exhibit biological activity against specific targets, such as enzymes or receptors.
* **Organic Synthesis:** This compound could serve as a starting material or intermediate in the synthesis of other complex molecules. The presence of reactive functional groups (carbonyl, bromine) could be exploited for further transformations.
* **Materials Science:** The unique combination of aromatic and aliphatic components could give this compound interesting properties for materials applications. It might display properties like fluorescence or non-linear optical behavior.

**Important Note:**

It's critical to understand that simply knowing the structure of a compound doesn't tell us everything about its potential use. **To understand its significance in research, we need additional information such as:**

* **What specific research groups or fields are studying this compound?**
* **What are the observed properties or biological activities of the compound?**
* **Is there any published literature on this specific compound?**

**To find this information, you would need to consult specialized scientific databases and literature, such as:**

* **PubMed:** A database of biomedical literature
* **SciFinder:** A database for chemical and scientific information
* **Reaxys:** A database focusing on organic chemistry reactions and compounds

By searching for the name or structure of this compound in these databases, you can uncover relevant research and information about its importance and potential applications.

Cross-References

ID SourceID
PubMed CID2766522
CHEMBL ID1584687
CHEBI ID121425

Synonyms (16)

Synonym
1-[4-(2-bromobenzoyl)-1h-pyrrol-2-yl]-2,2,2-trichloroethanone
HMS2639J08
MLS000696306
1-[4-(2-bromobenzoyl)-1h-pyrrol-2-yl]-2,2,2-trichloro-1-ethanone
smr000333426
BIONET1_000662
CHEBI:121425
HMS569N04
AKOS005077004
HMS3361A07
1-[4-(2-bromobenzoyl)-1h-pyrrol-2-yl]-2,2,2-trichloroethan-1-one
11E-012
477852-47-4
CHEMBL1584687
Q27209966
1-[4-[(2-bromophenyl)-oxomethyl]-1h-pyrrol-2-yl]-2,2,2-trichloroethanone
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aromatic ketoneA ketone in which the carbonyl group is attached to an aromatic ring.
[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 (8)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency125.89200.044717.8581100.0000AID485294
TDP1 proteinHomo sapiens (human)Potency24.50140.000811.382244.6684AID686978; AID686979
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency1.77830.011212.4002100.0000AID1030
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency22.38720.00798.23321,122.0200AID2546
lethal(3)malignant brain tumor-like protein 1 isoform IHomo sapiens (human)Potency1.77830.075215.225339.8107AID485360
gemininHomo sapiens (human)Potency0.07310.004611.374133.4983AID624297
[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)
recombinase AMycobacterium tuberculosis H37RvEC50 (µMol)16.21500.018023.2882287.6000AID434968; AID435010
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
replicative DNA helicaseMycobacterium tuberculosis H37RvAC5015.55500.057030.7482325.3000AID449749; AID449750
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

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