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.
ID Source | ID |
---|---|
PubMed CID | 2766522 |
CHEMBL ID | 1584687 |
CHEBI ID | 121425 |
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 |
Class | Description |
---|---|
aromatic ketone | A 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 125.8920 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
TDP1 protein | Homo sapiens (human) | Potency | 24.5014 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 1.7783 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 22.3872 | 0.0079 | 8.2332 | 1,122.0200 | AID2546 |
lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 1.7783 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
geminin | Homo sapiens (human) | Potency | 0.0731 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
[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) |
---|---|---|---|---|---|---|---|
recombinase A | Mycobacterium tuberculosis H37Rv | EC50 (µMol) | 16.2150 | 0.0180 | 23.2882 | 287.6000 | AID434968; AID435010 |
[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) |
---|---|---|---|---|---|---|---|
replicative DNA helicase | Mycobacterium tuberculosis H37Rv | AC50 | 15.5550 | 0.0570 | 30.7482 | 325.3000 | AID449749; AID449750 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
AID651635 | Viability 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] |
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] |