The compound you're describing, **(4-amino-3-ethyl-2-sulfanylidene-5-thiazolyl)-(4-morpholinyl)methanone**, is a complex organic molecule with a specific arrangement of functional groups. It's also known by its more convenient name, **TH-302**.
**TH-302** is a synthetic compound, meaning it's not naturally occurring. It's classified as a **thiazole derivative** due to the presence of the thiazole ring in its structure. This class of molecules has shown significant potential for various applications, primarily in:
**1. Medical Research:**
* **Anti-inflammatory properties:** TH-302 has been investigated for its potential to reduce inflammation, especially in the context of inflammatory bowel disease (IBD). Studies have shown it can inhibit the production of pro-inflammatory cytokines, making it a promising candidate for IBD treatment.
* **Anti-cancer properties:** TH-302 has exhibited anti-cancer activity in preclinical models, showing promising results in inhibiting tumor growth and promoting cell death in certain cancer cell lines.
* **Neuroprotective effects:** Research has suggested that TH-302 might have protective effects on neurons, potentially slowing down or reversing neurological damage in conditions like Alzheimer's disease.
**2. Chemistry Research:**
* **Synthesis of new compounds:** TH-302 is a valuable starting material for the synthesis of other complex organic molecules, potentially leading to new drugs or functional materials.
* **Investigating structure-activity relationships:** Studying the effects of modifying TH-302's structure can reveal how specific functional groups contribute to its biological activity.
**Importance for Research:**
The specific structure of TH-302, with its amino, ethyl, sulfanylidene, and morpholinyl groups, contributes to its unique properties and potential applications. This makes it an interesting molecule for research in various fields, including:
* **Medicinal chemistry:** Exploring its potential as a drug candidate for different diseases.
* **Biochemistry:** Understanding its interactions with biological systems and its mechanisms of action.
* **Materials science:** Studying its potential for use in developing new materials with specific properties.
It's important to remember that the research on TH-302 is still ongoing. While it shows promising results, further studies are needed to confirm its safety and efficacy for potential applications.
ID Source | ID |
---|---|
PubMed CID | 3245131 |
CHEMBL ID | 1525416 |
CHEBI ID | 107678 |
Synonym |
---|
OPREA1_051670 |
MLS000085350 |
4-amino-3-ethyl-5-(morpholin-4-ylcarbonyl)-1,3-thiazole-2(3h)-thione |
smr000020088 |
CHEBI:107678 |
(4-amino-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)(morpholin-4-yl)methanone |
STK877253 |
AKOS000347804 |
(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone |
HMS2182L21 |
CCG-24200 |
CHEMBL1525416 |
(4-amino-3-ethyl-2-sulfanylidene-5-thiazolyl)-(4-morpholinyl)methanone |
Q27186002 |
4-amino-3-ethyl-5-(4-morpholinylcarbonyl)-1,3-thiazole-2(3h)-thione |
sr-01000085675 |
SR-01000085675-1 |
Z57783416 |
Class | Description |
---|---|
morpholines | Any compound containing morpholine as part of its structure. |
[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, HADH2 protein | Homo sapiens (human) | Potency | 7.9433 | 0.0251 | 20.2376 | 39.8107 | AID886 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 7.9433 | 0.0251 | 20.2376 | 39.8107 | AID886 |
15-lipoxygenase, partial | Homo sapiens (human) | Potency | 31.6228 | 0.0126 | 10.6917 | 88.5700 | AID887 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 44.6684 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 44.6684 | 0.1800 | 13.5574 | 39.8107 | AID1468 |
regulator of G-protein signaling 4 | Homo sapiens (human) | Potency | 50.1187 | 0.5318 | 15.4358 | 37.6858 | AID504845 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 11.2202 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 10.0000 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 39.8107 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 15.0030 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 35.4813 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 0.0126 | 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 |
---|---|---|---|---|
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. |
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. |
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 | |||
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. |
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] |