1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-phenylthiourea, also known as **DIOXIN-3-YL-ETHYL-PHENYLTHIOUREA** (often abbreviated as DPETU), is a synthetic compound with a complex structure.
**Structure:**
* It contains a **benzodioxin ring**, a six-membered ring with two oxygen atoms.
* It has a **thiourea group**, which contains a carbon atom double-bonded to a sulfur atom and single-bonded to two nitrogen atoms.
* It has a **phenyl group**, which is a benzene ring with a single hydrogen atom replaced by a carbon chain.
* It also contains an **ethyl group** attached to the benzodioxin ring.
**Importance for Research:**
DPETU is a **potent inhibitor of the enzyme thioredoxin reductase (TrxR)**.
* **TrxR is an important enzyme in cellular redox regulation.** It catalyzes the reduction of thioredoxin (Trx), a small protein involved in various cellular processes, including DNA synthesis, cell proliferation, and immune response.
* **Inhibition of TrxR can have various pharmacological effects.** For example, it has shown potential in **anti-cancer research**, as inhibiting TrxR can disrupt the redox balance in cancer cells and induce apoptosis (cell death).
**Other research areas where DPETU has been investigated:**
* **Anti-inflammatory effects:** DPETU has been shown to inhibit inflammation in some studies.
* **Antioxidant effects:** DPETU may also have antioxidant properties due to its interaction with reactive oxygen species.
**However, it's important to note:**
* Research on DPETU is still ongoing, and its exact mechanisms of action and its potential benefits and risks are not fully understood.
* It's crucial to consult peer-reviewed scientific literature for the most updated and accurate information about DPETU and its potential applications.
**Overall, DPETU is a promising compound with potential applications in various research areas, particularly in the field of cancer therapy.** Further research is necessary to explore its full potential and to develop safe and effective therapeutic strategies based on its properties.
ID Source | ID |
---|---|
PubMed CID | 2877824 |
CHEMBL ID | 1309876 |
CHEBI ID | 121401 |
Synonym |
---|
CBMICRO_038061 |
HMS2615E15 |
smr000211214 |
MLS000587178 |
1-[1-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-ethyl]-3-phenyl-thiourea |
OPREA1_355062 |
BIM-0037965.P001 |
1-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-3-phenylthiourea |
STK020673 |
CHEBI:121401 |
1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-phenylthiourea |
AKOS001617469 |
CHEMBL1309876 |
AKOS021993277 |
Q27209941 |
sr-01000448329 |
SR-01000448329-1 |
3-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-1-phenylthiourea |
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) |
---|---|---|---|---|---|---|---|
glp-1 receptor, partial | Homo sapiens (human) | Potency | 12.5893 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 100.0000 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 5.6607 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
DNA dC->dU-editing enzyme APOBEC-3F isoform a | Homo sapiens (human) | Potency | 3.5481 | 0.0259 | 11.2398 | 31.6228 | AID602313 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 12.5893 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) | Potency | 70.7946 | 3.9811 | 46.7448 | 112.2020 | AID720708 |
[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. |
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. |
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 | |||
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] |