The compound you've described, **1-(3-methoxyphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea**, is a synthetic molecule that is likely of interest in chemical research, particularly in the fields of **medicinal chemistry** and **drug discovery**. Here's a breakdown of its structure and why it might be important:
**Structure:**
* **Thiourea:** This is the core functional group, containing a sulfur atom double-bonded to a nitrogen atom. Thioureas are often found in pharmaceuticals, known for their diverse pharmacological activities.
* **3-Methoxyphenyl:** This is a substituted benzene ring (aromatic) with a methoxy group (OCH3) attached at the 3rd position.
* **3-(4-Nitro-1-pyrazolyl)-1-oxopropyl:** This is a more complex substituent. It contains a pyrazole ring (a 5-membered heterocyclic ring with two nitrogen atoms) with a nitro group (NO2) at the 4th position. It also has a carbonyl group (C=O) and a propyl chain (3 carbons) attached to it.
**Importance in Research:**
The specific structure of this molecule suggests it could be explored for a number of reasons:
* **Target for a specific biological pathway:** The complex structure and functional groups suggest that it might be designed to interact with specific biological targets, such as enzymes, receptors, or other proteins.
* **Potential therapeutic agent:** Researchers might be investigating this molecule as a potential drug candidate for treating a variety of diseases. The pyrazole ring, for example, is frequently found in compounds that target the central nervous system, while the nitro group often enhances a compound's pharmacological activity.
* **Structure-activity relationship (SAR) study:** The synthesis and testing of this compound might be part of a larger SAR study. Researchers often modify the structure of a molecule systematically to understand how these modifications impact its biological activity and optimize its potential therapeutic properties.
**It's important to note:** Without further context or research papers, we can only speculate about the exact purpose of this compound. However, based on its structural features, it is highly likely that it is being investigated for its potential therapeutic applications.
**To learn more:**
* **Search online databases:** Search for the compound's name or its structure in chemical databases like PubChem or ChemSpider.
* **Look for scientific publications:** Search for research articles related to the compound or its related structural motifs. This will provide information on its specific properties and potential uses.
ID Source | ID |
---|---|
PubMed CID | 1769284 |
CHEMBL ID | 1353483 |
CHEBI ID | 121213 |
Synonym |
---|
smr000228279 |
MLS000701894 |
2-(3-{4-nitro-1h-pyrazol-1-yl}propanoyl)-n-(3-methoxyphenyl)hydrazinecarbothioamide |
AK-968/41925027 , |
CHEBI:121213 |
1-(3-methoxyphenyl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea |
AKOS003760875 |
HMS2659C16 |
n-(3-methoxyphenyl)-2-[3-(4-nitro-1h-pyrazol-1-yl)propanoyl]hydrazinecarbothioamide |
STL401924 |
CHEMBL1353483 |
1-(3-methoxyphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea |
Q27209742 |
n-(3-methoxyphenyl)-2-[3-(4-nitro-1h-pyrazol-1-yl)propanoyl]-1-hydrazinecarbothioamide |
Class | Description |
---|---|
methoxybenzenes | Any aromatic ether that consists of a benzene skeleton substituted with one or more methoxy groups. |
substituted aniline | |
[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) |
---|---|---|---|---|---|---|---|
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 7.9433 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 1.0000 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 39.8107 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 7.0254 | 0.0366 | 19.6376 | 50.1187 | AID2100 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 112.2020 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
transcriptional regulator ERG isoform 3 | Homo sapiens (human) | Potency | 17.7828 | 0.7943 | 21.2757 | 50.1187 | AID624246 |
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 | 2.5119 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 0.0032 | 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 |
---|---|---|---|---|
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. |
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 | |||
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. |
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. |
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] |