The compound you described, **1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea**, is a complex organic molecule. It's likely a synthetic compound, and its significance hinges on its specific biological activity or chemical properties.
Here's why it's important for research, broken down based on its structure and potential applications:
**Structural Features:**
* **Thiourea:** The presence of a thiourea group suggests potential biological activity. Thioureas are known to act as:
* **Ligands:** They can bind to metal ions, potentially impacting enzyme activity or other biological processes.
* **Hydrogen bond donors:** They can form hydrogen bonds with other molecules, influencing interactions and potentially modulating biological pathways.
* **Heterocyclic rings:** The pyridine and imidazole rings are common in bioactive compounds, often involved in:
* **Ligand binding:** They can bind to specific receptors or proteins, influencing cellular signaling.
* **Modulation of enzyme activity:** They can interact with active sites of enzymes, inhibiting or activating their function.
* **Alkyl chains:** The long alkyl chains in the molecule could increase its lipophilicity (ability to dissolve in fats). This could influence:
* **Membrane permeability:** Allowing the compound to pass through cell membranes, potentially affecting intracellular processes.
* **Target specificity:** It could help the compound target specific receptors or enzymes within the cell.
**Potential Research Applications:**
Given the structure, this compound could be investigated for:
* **Drug discovery:** It might possess activity against specific disease targets, such as:
* **Cancer:** Many drugs target specific proteins or enzymes involved in cancer cell growth and proliferation.
* **Infections:** The compound might inhibit the growth of bacteria, fungi, or viruses.
* **Neurological disorders:** Some thioureas exhibit activity in the central nervous system.
* **Materials science:** The compound could be used to develop new materials with specific properties, like:
* **Metal coordination:** It might form complexes with metal ions, potentially leading to new catalysts or sensors.
* **Analytical chemistry:** It could act as a reagent for detecting specific substances.
**Importance for Research:**
The compound's specific importance hinges on its biological activity and the research questions being asked.
To determine its true significance, researchers would need to conduct experiments to:
* **Synthesize the compound:** Ensure its purity and availability.
* **Test its biological activity:** Evaluate its effects on cells, tissues, or organisms.
* **Determine its mechanism of action:** Understand how the compound exerts its effects.
* **Optimize its properties:** Modify the compound's structure to enhance its activity or specificity.
**Note:** Without further context, it's impossible to definitively say why this specific compound is important for research. However, its complex structure and potential for various applications make it a promising candidate for further investigation.
ID Source | ID |
---|---|
PubMed CID | 44820562 |
CHEMBL ID | 1358536 |
CHEBI ID | 93647 |
Synonym |
---|
NCGC00185837-01 |
smr001566924 |
MLS002703119 |
CHEMBL1358536 |
CHEBI:93647 |
1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1h-imidazol-5-yl)propyl]thiourea |
Q27165338 |
Class | Description |
---|---|
dialkylarylamine | |
tertiary amino compound | A compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups. |
[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, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 50.1187 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Smad3 | Homo sapiens (human) | Potency | 22.3872 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
glucocerebrosidase | Homo sapiens (human) | Potency | 6.6759 | 0.0126 | 8.1569 | 44.6684 | AID2590; AID488854 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 100.0000 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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 | |||
AID1119120 | Inhibition of glucocerebrosidase N370S mutant in spleen homogenates of patient with Gaucher disease using resorufin-beta-D-glucopyranoside as substrate after 20 mins fluorescence assay | 2012 | MedChemComm, Jan, Volume: 3, Issue:1 | Non-iminosugar glucocerebrosidase small molecule chaperones. |
[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 (12.53) 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] |