Page last updated: 2024-12-09

1-(2-chlorophenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone

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

**1-(2-chlorophenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone** is a synthetic organic compound with the molecular formula C15H13ClN4O3. It is a member of the pyrazole family and is characterized by its unique structural features, including a chlorophenyl substituent, a dimethylnitro pyrazolyl ring, and a carbonyl group.

**Importance for Research:**

**1. Biological Activity:**
- This compound exhibits potential **anti-inflammatory and analgesic** activities. It has been shown to inhibit the production of pro-inflammatory mediators, such as prostaglandins, in various cell lines.
- Its **anti-tumor properties** have also been investigated, demonstrating potential cytotoxic effects against certain cancer cells.

**2. Chemical Synthesis:**
- The compound serves as a **useful starting material** for the synthesis of other biologically active pyrazole derivatives. Its unique structure allows for further modifications and derivatization, leading to the discovery of new compounds with enhanced pharmacological properties.

**3. Medicinal Chemistry:**
- Researchers are interested in studying the **structure-activity relationship** of this compound and its derivatives. Understanding how structural modifications affect biological activity can lead to the development of more potent and selective drug candidates.

**4. Material Science:**
- This compound may possess interesting **optical and electronic properties** due to its conjugated system. It has been investigated for potential applications in organic electronics and optoelectronic devices.

**5. Environmental Research:**
- The compound's environmental fate and potential toxicity are also being investigated. Understanding its degradation pathways and potential environmental impact is crucial for ensuring its safe handling and disposal.

**Overall, 1-(2-chlorophenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone is a promising research compound with potential applications in medicine, material science, and environmental research. Its unique structural features and biological activity make it a valuable tool for further exploration and development.**

Cross-References

ID SourceID
PubMed CID2341607
CHEMBL ID1527546
CHEBI ID105633

Synonyms (13)

Synonym
AKOS008901889
5354-48-3
smr000349131
MLS001006094
CHEBI:105633
1-(2-chlorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
HMS2706H03
CHEMBL1527546
1-(2-chlorophenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone
Q27183388
t0511-3166
DTXSID30368180
Z15584481
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aromatic ketoneA ketone in which the carbonyl group is attached to an aromatic 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 Targets (15)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency44.66840.003245.467312,589.2998AID2517
Chain A, Ferritin light chainEquus caballus (horse)Potency31.62285.623417.292931.6228AID485281
LuciferasePhotinus pyralis (common eastern firefly)Potency10.69100.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency7.07950.01846.806014.1254AID624417
BRCA1Homo sapiens (human)Potency10.00000.89137.722525.1189AID624202
ATAD5 protein, partialHomo sapiens (human)Potency17.58140.004110.890331.5287AID504466; AID504467
pyruvate kinaseLeishmania mexicana mexicanaPotency17.78280.398113.744731.6228AID1721; AID1722
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency50.11870.035520.977089.1251AID504332
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency3.54810.01262.451825.0177AID485313
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency23.10930.00419.984825.9290AID504444
ras-related protein Rab-9AHomo sapiens (human)Potency3.98110.00022.621531.4954AID485297
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.12510.050127.073689.1251AID588590
survival motor neuron protein isoform dHomo sapiens (human)Potency19.95260.125912.234435.4813AID1458
Endothelin receptor type BRattus norvegicus (Norway rat)Potency17.78280.562315.160931.6228AID1721
Endothelin-1 receptorRattus norvegicus (Norway rat)Potency17.78280.562315.160931.6228AID1721
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
[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]