Page last updated: 2024-12-09

2-(3,5-dimethyl-1-pyrazolyl)-4-(4-hydroxyanilino)-5-pyrimidinecarboxylic acid ethyl ester

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

You're describing a complex organic molecule with a very specific structure and name. Let's break down its components and potential significance:

**Structure Breakdown:**

* **2-(3,5-dimethyl-1-pyrazolyl):** This indicates a pyrazole ring (a five-membered ring with two nitrogen atoms) with two methyl groups (CH3) at positions 3 and 5, and linked at position 1 to the rest of the molecule.
* **4-(4-hydroxyanilino):** This part signifies an aniline group (a benzene ring with an amino group, NH2) with a hydroxyl group (OH) at the para position (opposite to the amino group) and connected to the main molecule at position 4.
* **5-pyrimidinecarboxylic acid ethyl ester:** This means the molecule contains a pyrimidine ring (six-membered ring with two nitrogen atoms), and at position 5, there's a carboxylic acid group (COOH) with an ethyl ester (CH3CH2O-) attached.

**Potential Importance in Research:**

This molecule, given its structure, likely belongs to the realm of **heterocyclic chemistry** and could be of interest in several research areas:

* **Drug Discovery:** The combination of pyrazole, pyrimidine, and aniline rings, along with the carboxylic acid and hydroxyl groups, suggests a potential for biological activity. This molecule might act as a:
* **Ligand:** It could bind to specific protein receptors or enzymes, potentially affecting their function and leading to therapeutic effects.
* **Scaffold:** It could serve as a starting point for designing new drug candidates by modifying its structure.
* **Materials Science:** The specific functional groups and ring structures might lend themselves to applications like:
* **Luminescent materials:** Some heterocyclic compounds exhibit fluorescence, which can be useful in sensing, imaging, and other applications.
* **Organic electronics:** The molecule could have interesting properties for use in transistors, solar cells, or other organic electronic devices.
* **Synthetic Chemistry:** The complex structure of the molecule could be of interest for researchers exploring new synthetic routes and methods for preparing complex organic molecules.

**To understand the specific importance of this molecule, more information is needed:**

* **The research context:** What specific research question is being addressed? What is the intended application of this molecule?
* **Experimental data:** What are the properties and biological activities observed for this molecule?
* **Published literature:** Has this molecule been reported in scientific publications? If so, what are the key findings?

Without more information, it's difficult to definitively state the importance of this specific molecule in research.

Cross-References

ID SourceID
PubMed CID1968565
CHEMBL ID1460889
CHEBI ID114859

Synonyms (18)

Synonym
2-(3,5-dimethyl-pyrazol-1-yl)-4-(4-hydroxy-phenylamino)-pyrimidine-5-carboxylic acid ethyl ester
smr000415300
MLS000778506 ,
CHEBI:114859
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-hydroxyanilino)pyrimidine-5-carboxylate
HMS2766F12
AKOS022108450
STL339841
ethyl 2-(3,5-dimethyl-1h-pyrazol-1-yl)-4-[(4-hydroxyphenyl)amino]pyrimidine-5-carboxylate
CHEMBL1460889
cid_1968565
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[(4-hydroxyphenyl)amino]pyrimidine-5-carboxylate
2-(3,5-dimethyl-1-pyrazolyl)-4-(4-hydroxyanilino)-5-pyrimidinecarboxylic acid ethyl ester
2-(3,5-dimethylpyrazol-1-yl)-4-(4-hydroxyanilino)pyrimidine-5-carboxylic acid ethyl ester
bdbm68170
958983-98-7
Q27196562
DTXSID901333360
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
pyrimidinecarboxylic acidAny pyrimidine that bears one or more carboxylic acid substituents.
[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 (8)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
ATAD5 protein, partialHomo sapiens (human)Potency3.47980.004110.890331.5287AID504467; AID624248; AID624249; AID624251; AID624252
TDP1 proteinHomo sapiens (human)Potency2.61010.000811.382244.6684AID686978; AID686979
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency79.43280.035520.977089.1251AID504332
ras-related protein Rab-9AHomo sapiens (human)Potency3.54810.00022.621531.4954AID485297
neuropeptide S receptor isoform AHomo sapiens (human)Potency2.51190.015812.3113615.5000AID1461
Guanine nucleotide-binding protein GHomo sapiens (human)Potency11.22021.995325.532750.1187AID624288
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
XBP1Homo sapiens (human)IC50 (µMol)1.26000.16005.404910.0000AID504313
DNA damage-inducible transcript 3 proteinMus musculus (house mouse)IC50 (µMol)1.51000.16003.995910.0000AID504322
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (5)

Processvia Protein(s)Taxonomy
negative regulation of inflammatory response to antigenic stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
renal water homeostasisGuanine nucleotide-binding protein GHomo sapiens (human)
G protein-coupled receptor signaling pathwayGuanine nucleotide-binding protein GHomo sapiens (human)
regulation of insulin secretionGuanine nucleotide-binding protein GHomo sapiens (human)
cellular response to glucagon stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Processvia Protein(s)Taxonomy
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (1)

Processvia Protein(s)Taxonomy
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (12)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
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.
AID651635Viability 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]

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]