You're asking about a compound called **(3-bromo-4-methoxyphenyl)-(4-methyl-1-piperazinyl)methanethione**. This is a rather specific and complex molecule. Here's a breakdown of its components and why it might be important for research:
**Understanding the Compound's Structure:**
* **(3-bromo-4-methoxyphenyl):** This part describes a phenyl (benzene) ring with two substituents:
* **3-bromo:** A bromine atom attached to the third carbon of the ring.
* **4-methoxy:** A methoxy group (CH3O-) attached to the fourth carbon of the ring.
* **-(4-methyl-1-piperazinyl):** This indicates a piperazine ring (a six-membered ring with two nitrogen atoms) with:
* **4-methyl:** A methyl group (CH3) attached to the fourth nitrogen atom of the piperazine ring.
* **methanethione:** This describes a carbon atom (methane) with a double bond to a sulfur atom (thione).
**The Compound's Potential Significance for Research:**
It's difficult to say precisely why this specific compound would be important for research without more context. However, the presence of certain features makes it a likely candidate for investigation in various scientific fields:
* **Pharmacological Activity:** Compounds with a piperazine ring are often associated with pharmacological activity, especially in areas like:
* **Antidepressants:** Piperazine rings are found in many selective serotonin reuptake inhibitors (SSRIs), a common class of antidepressants.
* **Antihistamines:** Some piperazine derivatives are used to block histamine receptors, which can be helpful for treating allergies.
* **Antipsychotics:** Some piperazine derivatives have antipsychotic properties.
* **Chemical Reactivity:** The thiocarbonyl group (C=S) of methanethione is known to be a good electrophile. This can make the compound reactive and potentially useful for:
* **Drug Development:** The thiocarbonyl group could be modified or reacted with other molecules to create new drug candidates.
* **Organic Synthesis:** This compound could serve as a building block for synthesizing more complex molecules.
* **Biological Activity:** The specific combination of substituents on the phenyl ring (bromine and methoxy) could influence the compound's ability to interact with biological systems. This could lead to:
* **Investigating Enzyme Inhibition:** The compound could be tested as an inhibitor of certain enzymes, potentially leading to new therapeutic applications.
* **Probing Cellular Signaling:** The compound might affect cellular signaling pathways, making it useful in biological research.
**Important Note:** It's crucial to understand that I am an AI chatbot and cannot provide specific scientific or medical advice. If you are interested in this compound's potential for research, I strongly recommend consulting with experts in the relevant fields, such as medicinal chemists, pharmacologists, or biologists.
ID Source | ID |
---|---|
PubMed CID | 804731 |
CHEMBL ID | 1351631 |
CHEBI ID | 108959 |
Synonym |
---|
MLS000113322 |
smr000109224 |
CHEBI:108959 |
AKOS000470723 |
(3-bromo-4-methoxyphenyl)-(4-methylpiperazin-1-yl)methanethione |
HMS2162O06 |
HMS3320P20 |
CHEMBL1351631 |
(3-bromo-4-methoxyphenyl)(4-methylpiperazin-1-yl)methanethione |
STL430868 |
Q27187934 |
(3-bromo-4-methoxyphenyl)-(4-methyl-1-piperazinyl)methanethione |
sr-01000250748 |
SR-01000250748-1 |
Class | Description |
---|---|
methoxybenzenes | Any aromatic ether that consists of a benzene skeleton substituted with one or more methoxy 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) |
---|---|---|---|---|---|---|---|
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 3.5481 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 6.3096 | 0.0398 | 16.7842 | 39.8107 | AID995 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
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] |