You've provided the chemical name for a compound that is likely a **thiourea derivative**. Here's a breakdown of what it means and why it might be important in research:
**Breaking Down the Name:**
* **1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea:** This name describes the structure of the molecule, indicating the following:
* **Thiourea:** The core structure is thiourea, a molecule containing a sulfur atom and two nitrogen atoms.
* **1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]:** This part refers to a substituent attached to one of the nitrogen atoms of the thiourea. It's a long chain with several functional groups:
* **1-oxo:** A ketone group (C=O).
* **3-(4-propan-2-yloxyphenyl):** A phenyl ring (benzene) with a propan-2-yloxy (isopropoxy) group attached at position 4.
* **Propyl:** A three-carbon chain.
* **3-(phenylmethyl):** This refers to a benzyl group (a phenyl ring attached to a methylene (-CH2-) group) attached to the other nitrogen atom of the thiourea.
**Importance in Research:**
Thioureas are a class of organic compounds with diverse applications, and this specific derivative likely holds significance in one or more of these areas:
* **Pharmacology:**
* **Potential Drug Candidates:** Thioureas often exhibit biological activity and are investigated for their potential as drugs.
* **Targeting Specific Proteins:** The specific structure you've provided suggests a potential for targeting specific proteins or enzymes. The phenyl ring and propan-2-yloxy group might contribute to binding interactions.
* **Materials Science:**
* **Polymers:** Thioureas can be used in the synthesis of polymers, which are large molecules with various uses.
* **Organic Electronics:** Some thioureas show electrical conductivity, making them potentially useful in organic electronics.
* **Catalysis:**
* **Catalysts:** Thioureas can act as catalysts in chemical reactions, facilitating the formation of new compounds.
* **Analytical Chemistry:**
* **Sensors:** Thioureas can be incorporated into sensors for detecting specific analytes.
**To understand its specific research significance, you would need more information:**
* **Source:** Where did you find this compound name? Was it in a scientific paper, a patent, or a database?
* **Context:** What was the research topic or area of study associated with this compound?
Knowing these details would help to understand why this specific thiourea derivative is important in research.
ID Source | ID |
---|---|
PubMed CID | 1904499 |
CHEMBL ID | 1469921 |
CHEBI ID | 107116 |
Synonym |
---|
STK615406 |
n-benzyl-2-{3-[4-(propan-2-yloxy)phenyl]propanoyl}hydrazinecarbothioamide |
AKOS005549591 |
MLS000779518 , |
smr000419709 |
CHEBI:107116 |
1-benzyl-3-[3-(4-propan-2-yloxyphenyl)propanoylamino]thiourea |
HMS2746A15 |
CHEMBL1469921 |
cid_1904499 |
1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea |
1-benzyl-3-[3-(4-isopropoxyphenyl)propanoylamino]thiourea |
1-(phenylmethyl)-3-[3-(4-propan-2-yloxyphenyl)propanoylamino]thiourea |
bdbm75639 |
Q27185146 |
Class | Description |
---|---|
aromatic ether | Any ether in which the oxygen is attached to at least one aryl substituent. |
[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, TYROSYL-DNA PHOSPHODIESTERASE | Homo sapiens (human) | Potency | 5.6234 | 0.0040 | 23.8416 | 100.0000 | AID485290 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 22.3872 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 100.0000 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
pyruvate kinase PKM isoform a | Homo sapiens (human) | Potency | 0.0056 | 0.0401 | 7.4590 | 31.6228 | AID1631; AID1634 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 10.4726 | 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] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
intestinal alkaline phosphatase precursor | Mus musculus (house mouse) | IC50 (µMol) | 60.3000 | 0.2590 | 11.8708 | 60.3000 | AID488874 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
alkaline phosphatase, intestinal | Homo sapiens (human) | EC50 (µMol) | 20.3000 | 0.2570 | 26.8395 | 81.0000 | AID463120; AID488817 |
alkaline phosphatase, tissue-nonspecific isozyme isoform 1 preproprotein | Homo sapiens (human) | EC50 (µMol) | 21.1000 | 0.2270 | 25.0904 | 86.8000 | AID488886 |
alkaline phosphatase, germ cell type preproprotein | Homo sapiens (human) | EC50 (µMol) | 21.2000 | 0.5500 | 33.7339 | 74.0000 | AID488888 |
[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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
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 | |||
[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] |