You're asking about a specific organic molecule, **(1-tert-butyl-5-phenyl-3-pyrrolyl)-phenylmethanone**. This molecule is a complex organic compound that likely has applications in various research fields. Here's a breakdown of its structure and potential significance:
**Understanding the Structure:**
* **Pyrrole:** The core of the molecule is a pyrrole ring, a five-membered aromatic ring containing a nitrogen atom.
* **Substituents:**
* **tert-Butyl (t-Bu):** A bulky group attached to the 1-position of the pyrrole ring.
* **Phenyl (Ph):** A benzene ring attached to the 5-position of the pyrrole ring.
* **Phenylmethanone:** This is a benzoyl group, a benzene ring with a carbonyl group (C=O) directly attached to the pyrrole ring at the 3-position.
**Potential Importance for Research:**
The specific properties and potential applications of (1-tert-butyl-5-phenyl-3-pyrrolyl)-phenylmethanone are difficult to determine without more context or a specific research objective. However, its structure suggests potential uses in the following areas:
* **Organic Chemistry & Materials Science:**
* **Synthesis and Reactivity:** The presence of the pyrrole ring and benzoyl group could make it a useful building block for synthesizing other organic compounds, potentially with interesting optical or electronic properties.
* **Polymer Chemistry:** The molecule could be incorporated into polymer chains to create new materials with specific functionalities.
* **Photochemistry:** The benzoyl group might exhibit photochemical properties (e.g., absorbing UV light), making it relevant for photocatalysis or fluorescent materials.
* **Medicinal Chemistry:**
* **Drug Discovery:** The presence of both a pyrrole ring and a phenylmethanone group suggests the possibility of biological activity. It could be a starting point for developing new pharmaceutical agents.
* **Probing Biological Targets:** The molecule might bind to specific receptors or enzymes in biological systems, making it useful for studying their function.
**To Get More Specific Information:**
To understand the exact significance of this molecule, you would need to know:
* **The context of the research:** What specific research question is it addressing?
* **Its synthesis and characterization:** How was it made and what are its physical and chemical properties?
* **Its biological activity:** Does it interact with any biological systems?
Without more information, it's impossible to say definitively why this molecule is important. However, its complex structure and potential for interaction with other molecules make it a fascinating candidate for further research.
ID Source | ID |
---|---|
PubMed CID | 288774 |
CHEMBL ID | 1312018 |
CHEBI ID | 105288 |
Synonym |
---|
nsc-150114 |
nsc150114 |
55933-61-4 |
mls000766154 , |
smr000528631 |
CHEBI:105288 |
sr-01000768646 |
SR-01000768646-2 |
(1-tert-butyl-5-phenyl-1h-pyrrol-3-yl)(phenyl)methanone |
HMS2884H13 |
CHEMBL1312018 |
Q27183003 |
(1-tert-butyl-5-phenyl-3-pyrrolyl)-phenylmethanone |
DTXSID70971354 |
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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 3.9811 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 56.2341 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 37.9330 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 1.1220 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
TDP1 protein | Homo sapiens (human) | Potency | 21.1446 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 28.1838 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
glucocerebrosidase | Homo sapiens (human) | Potency | 10.0000 | 0.0126 | 8.1569 | 44.6684 | AID2101 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 39.8107 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 35.4813 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 19.9526 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 44.6684 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
histone-lysine N-methyltransferase 2A isoform 2 precursor | Homo sapiens (human) | Potency | 10.0000 | 0.0103 | 23.8567 | 63.0957 | AID2662 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 0.2818 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 12.5893 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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 | |||
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. |
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. |
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. |
[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] |