1-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3-ethylthiourea is a complex organic molecule with a long and somewhat unwieldy name. It's often abbreviated for convenience.
**What it is:**
* **Structure:** It's composed of several key components:
* **Benzimidazole:** A bicyclic aromatic ring system containing a nitrogen atom.
* **Thiourea:** A sulfur-containing compound with a functional group similar to urea.
* **Acetamide:** A derivative of acetic acid containing an amide group.
* **Functionality:** The molecule likely possesses a combination of properties from its constituent parts:
* **Potent chelator:** The sulfur atom in the thiourea component can bind to metal ions, possibly making it a chelating agent.
* **Potential anti-inflammatory activity:** The benzimidazole ring is known to have anti-inflammatory properties.
* **Possible biological activity:** The combination of the benzimidazole ring and the thiourea group could lead to various biological effects.
**Why it's Important for Research:**
* **Potential applications:**
* **Drug discovery:** This molecule's potential chelating, anti-inflammatory, and biological properties make it a promising lead compound for drug development. It might be investigated for its efficacy in treating conditions like inflammatory disorders, infections, or metal poisoning.
* **Material science:** It could be used as a building block for developing new materials with unique properties, such as metal-chelating polymers or functionalized coatings.
* **Understanding chemical reactions:** Studying the molecule's synthesis, structure, and interactions can lead to a better understanding of organic chemistry and the design of new synthetic routes.
* **Biological activity investigations:** Exploring the molecule's interactions with biological systems (e.g., enzymes, proteins) can provide insights into its potential mechanism of action and lead to the discovery of novel drug targets.
**Note:** It's important to remember that the molecule's importance and applications are still under investigation. Further research is needed to fully understand its properties and potential uses.
ID Source | ID |
---|---|
PubMed CID | 2382083 |
CHEMBL ID | 1349917 |
CHEBI ID | 115105 |
Synonym |
---|
smr000385744 |
MLS001033867 |
CHEBI:115105 |
AKOS002233927 |
1-[[2-(1h-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-ethylthiourea |
HMS2725P15 |
2-(2-((1h-benzo[d]imidazol-2-yl)thio)acetyl)-n-ethylhydrazinecarbothioamide |
306954-96-1 |
F0331-0134 |
CHEMBL1349917 |
Q27196949 |
1-[[2-(1h-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3-ethylthiourea |
sr-01000005663 |
SR-01000005663-1 |
2-(1h-1,3-benzodiazol-2-ylsulfanyl)-n-[(ethylcarbamothioyl)amino]acetamide |
2-(2-((1h-benzo[d]imidazol-2-yl)thio)acetyl)-n-ethylhydrazine-1-carbothioamide |
Z45780795 |
Class | Description |
---|---|
benzimidazoles | An organic heterocyclic compound containing a benzene ring fused to an imidazole ring. |
[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) |
---|---|---|---|---|---|---|---|
GLS protein | Homo sapiens (human) | Potency | 22.3872 | 0.3548 | 7.9355 | 39.8107 | AID624170 |
Smad3 | Homo sapiens (human) | Potency | 22.3872 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 3.5481 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 44.6684 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 3.1381 | 0.0366 | 19.6376 | 50.1187 | AID2100 |
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 | 8.2852 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
[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. |
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. |
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. |
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 | |||
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] |