Page last updated: 2024-12-10

(4-amino-3-ethyl-2-sulfanylidene-5-thiazolyl)-(4-morpholinyl)methanone

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

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.

Cross-References

ID SourceID
PubMed CID3245131
CHEMBL ID1525416
CHEBI ID107678

Synonyms (18)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
morpholinesAny 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 Targets (12)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, HADH2 proteinHomo sapiens (human)Potency7.94330.025120.237639.8107AID886
Chain B, HADH2 proteinHomo sapiens (human)Potency7.94330.025120.237639.8107AID886
15-lipoxygenase, partialHomo sapiens (human)Potency31.62280.012610.691788.5700AID887
phosphopantetheinyl transferaseBacillus subtilisPotency44.66840.141337.9142100.0000AID1490
Microtubule-associated protein tauHomo sapiens (human)Potency44.66840.180013.557439.8107AID1468
regulator of G-protein signaling 4Homo sapiens (human)Potency50.11870.531815.435837.6858AID504845
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency11.22020.28189.721235.4813AID2326
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency10.00000.035520.977089.1251AID504332
chromobox protein homolog 1Homo sapiens (human)Potency39.81070.006026.168889.1251AID540317
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency15.00300.168316.404067.0158AID720504
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency35.48130.00419.962528.1838AID2675
lamin isoform A-delta10Homo sapiens (human)Potency0.01260.891312.067628.1838AID1487
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID651635Viability 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]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]