1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-2-methylphenyl)thiourea is a chemical compound, often referred to as a **thiourea derivative**. While it's not a widely known or studied compound, it's important to understand why it *could* be of interest to researchers.
Here's a breakdown:
**Structure and Properties:**
* **Thiourea:** This is the core functional group, containing a sulfur atom double-bonded to a nitrogen atom. Thioureas have versatile properties, including:
* **Hydrogen bond donors and acceptors:** This allows them to interact with biological systems like proteins and nucleic acids.
* **Potential for medicinal applications:** They've been explored as anti-inflammatory, antibacterial, and antifungal agents.
* **Benzodioxole:** This ring system is common in natural products and pharmaceuticals. It's often associated with activity in areas like:
* **Neurology:** Some benzodioxole derivatives are known to have effects on the nervous system.
* **Pharmacology:** It's a structural motif found in drugs like the antidepressant bupropion.
* **Substituents:** The specific substituents (methyl and chloro) on the phenyl ring might influence the compound's properties and potential applications.
**Why it Could Be Important for Research:**
* **Biological activity:** The combination of thiourea, benzodioxole, and the substituents on the phenyl ring suggest the possibility of interesting biological activity.
* **Drug discovery:** This compound could be a starting point for developing new drugs with potential applications in areas like:
* **Neurological disorders:** The benzodioxole moiety might give it activity in the brain.
* **Infectious diseases:** Thioureas often exhibit antimicrobial properties.
* **Cancer therapy:** Some thiourea derivatives show promising anti-cancer activity.
* **Material science:** Thiourea derivatives are known to have interesting properties like:
* **Non-linear optical effects:** Potential applications in optoelectronic devices.
* **Coordination chemistry:** Ability to bind to metals and form complexes.
**It's Crucial to Note:**
* **Limited information:** The specific compound mentioned is not widely documented in scientific literature. This means there is limited information about its exact properties and potential applications.
* **Further research:** To determine the true importance of this compound for research, further investigation is needed. This would include:
* **Synthesis and characterization:** Developing methods to prepare the compound in a laboratory.
* **Biological assays:** Testing its effects on various biological systems.
* **Computational modeling:** Using computer simulations to predict its potential properties.
**In conclusion:** While 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-2-methylphenyl)thiourea is not currently a well-known compound, its structure suggests potential for research into areas like drug discovery and material science. Further investigation is required to determine its true value.
ID Source | ID |
---|---|
PubMed CID | 800363 |
CHEMBL ID | 1549669 |
CHEBI ID | 107220 |
Synonym |
---|
n-(1,3-benzodioxol-5-ylmethyl)-n'-(3-chloro-2-methylphenyl)thiourea |
MLS000677040 |
smr000270864 |
STK025728 |
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-2-methylphenyl)thiourea |
CHEBI:107220 |
AKOS002319277 |
HMS2556G05 |
AB00003658-01 |
CHEMBL1549669 |
Q27185322 |
Class | Description |
---|---|
thioureas | Compounds of general formula RR'NC(=S)NR''R'''. |
[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) |
---|---|---|---|---|---|---|---|
polyunsaturated fatty acid lipoxygenase ALOX12 | Homo sapiens (human) | Potency | 31.6228 | 1.0000 | 12.2326 | 31.6228 | AID1452 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 44.6684 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
snurportin-1 | Homo sapiens (human) | Potency | 44.6684 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 9.1498 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 1.0000 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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 | |||
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] |