(4-Bromo-2,5-dimethyl-3-pyrazolyl)-(2,3-dihydroindol-1-yl)methanone is a **synthetic compound** that is not commonly found in nature. It's a complex molecule with a specific structure, and its importance in research likely stems from its potential applications or unique properties.
Here's a breakdown of the molecule's structure and potential significance:
**Structure:**
* **Pyrazole ring:** The core of the molecule is a pyrazole ring. Pyrazoles are heterocyclic aromatic compounds, meaning they contain atoms other than carbon within the ring. They are commonly used in pharmaceuticals and agricultural chemicals.
* **Bromo substituent:** The molecule features a bromine atom attached to the pyrazole ring. This can significantly affect the molecule's reactivity and pharmacological properties.
* **Methyl substituents:** Two methyl groups are attached to the pyrazole ring. These small alkyl groups also influence the molecule's properties.
* **Dihydroindole ring:** The molecule is linked to a 2,3-dihydroindole ring. Dihydroindoles are a class of compounds often found in pharmaceuticals.
* **Ketone group:** A carbonyl group (C=O) connects the pyrazole and dihydroindole portions.
**Potential Research Significance:**
Based on its structure, this molecule could be significant for research in several areas:
* **Medicinal Chemistry:** The combination of a pyrazole ring, a dihydroindole ring, and the ketone group is commonly found in pharmaceuticals. The molecule could potentially be used as a lead compound in the development of new drugs.
* **Organic Chemistry:** The molecule could be used as a building block for synthesizing other complex molecules with novel properties.
* **Materials Science:** The molecule's unique structure might lead to interesting applications in materials science, for example, in the development of new organic materials or in the synthesis of polymers.
**To definitively understand the importance of this specific molecule, we need more information:**
* **Research context:** What is the specific research area or project where this molecule is being studied?
* **Properties:** What are the molecule's physical and chemical properties? For example, what is its solubility, melting point, and reactivity?
* **Biological activity:** Does the molecule exhibit any biological activity? This could include interactions with proteins, enzymes, or cells.
**Therefore, without additional information, it's difficult to provide a definitive answer about why this specific molecule is important for research.**
ID Source | ID |
---|---|
PubMed CID | 844740 |
CHEMBL ID | 1504243 |
CHEBI ID | 119765 |
Synonym |
---|
1-[(4-bromo-1,3-dimethyl-1h-pyrazol-5-yl)carbonyl]indoline |
smr000228334 |
MLS000698064 , |
CHEBI:119765 |
AKOS003752688 |
(4-bromo-2,5-dimethylpyrazol-3-yl)-(2,3-dihydroindol-1-yl)methanone |
HMS2550A23 |
CHEMBL1504243 |
STL394982 |
(4-bromo-1,3-dimethyl-1h-pyrazol-5-yl)(2,3-dihydro-1h-indol-1-yl)methanone |
(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)-(2,3-dihydroindol-1-yl)methanone |
cid_844740 |
(4-bromo-2,5-dimethyl-3-pyrazolyl)-(2,3-dihydroindol-1-yl)methanone |
bdbm69068 |
(4-bromo-2,5-dimethyl-pyrazol-3-yl)-indolin-1-yl-methanone |
Q27207226 |
Class | Description |
---|---|
indolyl carboxylic acid | |
[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) |
---|---|---|---|---|---|---|---|
TDP1 protein | Homo sapiens (human) | Potency | 9.2000 | 0.0008 | 11.3822 | 44.6684 | AID686978 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 31.6228 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
geminin | Homo sapiens (human) | Potency | 29.0929 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 14.1254 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
[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) |
---|---|---|---|---|---|---|---|
[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) |
---|---|---|---|---|---|---|---|
glycogen synthase kinase-3 beta isoform 1 | Homo sapiens (human) | EC50 (µMol) | 300.0000 | 0.2125 | 22.1562 | 83.9400 | AID434954 |
[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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
AID1745845 | 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] |