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.
ID Source | ID |
---|---|
PubMed CID | 2112925 |
CHEMBL ID | 1344207 |
CHEBI ID | 120589 |
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 |
Class | Description |
---|---|
aromatic amine | An 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, TYROSYL-DNA PHOSPHODIESTERASE | Homo sapiens (human) | Potency | 44.6684 | 0.0040 | 23.8416 | 100.0000 | AID485290 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 79.4328 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 4.1095 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 5.9311 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 22.3872 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 3.5481 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 19.9526 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
regulator of G-protein signaling 4 | Homo sapiens (human) | Potency | 79.4328 | 0.5318 | 15.4358 | 37.6858 | AID504845 |
67.9K protein | Vaccinia virus | Potency | 35.4813 | 0.0001 | 8.4406 | 100.0000 | AID720580 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 10.0000 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 7.9433 | 0.0398 | 16.7842 | 39.8107 | AID995 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 3.9811 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 2.8184 | 0.0079 | 8.2332 | 1,122.0200 | AID2546 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 4.4668 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
transient receptor potential cation channel subfamily V member 1 | Homo sapiens (human) | Potency | 102.7570 | 0.0912 | 0.0912 | 0.0912 | AID623958 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 11.2202 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
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] |