1-(2-tert-butylphenyl)-3-cyclohexylthiourea, often abbreviated as **(2-tBuPh)CHThiourea**, is a specific type of organic compound known as a thiourea. It's a **potential drug candidate** and its importance stems from its promising biological activities.
Here's a breakdown:
* **Structure:** The molecule consists of a thiourea core, which is a sulfur analog of urea. Attached to the thiourea are:
* **2-tert-butylphenyl:** This bulky group provides steric hindrance (spatial crowding) which can influence the way the molecule interacts with other molecules.
* **Cyclohexyl:** This cyclic alkyl group contributes to the molecule's overall hydrophobic (water-repelling) nature.
* **Biological Activities:** (2-tBuPh)CHThiourea has been researched for its potential in various areas:
* **Antioxidant Activity:** Thioureas have been shown to exhibit antioxidant properties, protecting cells against damaging free radicals.
* **Anticancer Activity:** Some thioureas have shown promise as anticancer agents, potentially by interfering with tumor cell growth and survival.
* **Anti-inflammatory Activity:** Thioureas may be able to reduce inflammation by modulating the activity of inflammatory mediators.
* **Neuroprotective Activity:** There is some research suggesting that certain thioureas might be neuroprotective, meaning they could protect neurons from damage.
* **Research Importance:** (2-tBuPh)CHThiourea is significant because it represents a promising starting point for the development of new drugs with therapeutic potential. Researchers are exploring its structure-activity relationships to understand how modifications to the molecule might affect its biological properties.
**Key Points to Remember:**
* This compound is still under investigation and is not yet approved for any medical uses.
* The exact mechanisms by which (2-tBuPh)CHThiourea exerts its effects are not fully understood and require further research.
* Its importance lies in its potential as a lead compound for the development of new drugs for a variety of diseases.
If you're interested in learning more, I suggest searching for research articles specifically on 1-(2-tert-butylphenyl)-3-cyclohexylthiourea or similar thiourea derivatives. You can use databases like PubMed or Google Scholar to find relevant publications.
ID Source | ID |
---|---|
PubMed CID | 2349790 |
CHEMBL ID | 1419309 |
CHEBI ID | 109216 |
Synonym |
---|
OPREA1_613888 |
smr000352495 |
MLS001007301 |
CHEBI:109216 |
AKOS000970838 |
1-(2-tert-butylphenyl)-3-cyclohexylthiourea |
HMS2707F22 |
CHEMBL1419309 |
Q27188291 |
Z45831544 |
380337-10-0 |
DTXSID801333612 |
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) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 4.4668 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 17.7828 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
TDP1 protein | Homo sapiens (human) | Potency | 23.7246 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 3.9811 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 4.0439 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
DNA dC->dU-editing enzyme APOBEC-3F isoform a | Homo sapiens (human) | Potency | 25.1189 | 0.0259 | 11.2398 | 31.6228 | AID602313 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 0.0447 | 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. |
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. |
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. |
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 | |||
[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] |