Page last updated: 2024-12-09

1-(3-methoxyphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea

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

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.

Cross-References

ID SourceID
PubMed CID1769284
CHEMBL ID1353483
CHEBI ID121213

Synonyms (14)

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

Drug Classes (2)

ClassDescription
methoxybenzenesAny 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 Targets (9)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency7.94330.707912.194339.8107AID720542
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency1.00000.011212.4002100.0000AID1030
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency39.81070.035520.977089.1251AID504332
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency7.02540.036619.637650.1187AID2100
chromobox protein homolog 1Homo sapiens (human)Potency112.20200.006026.168889.1251AID540317
transcriptional regulator ERG isoform 3Homo sapiens (human)Potency17.78280.794321.275750.1187AID624246
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency100.00000.050127.073689.1251AID588590
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency2.51190.00798.23321,122.0200AID2551
lamin isoform A-delta10Homo sapiens (human)Potency0.00320.891312.067628.1838AID1487
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
AID651635Viability Counterscreen for Primary 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.
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.
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.
AID1745845Primary 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]