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.
ID Source | ID |
---|---|
PubMed CID | 1968565 |
CHEMBL ID | 1460889 |
CHEBI ID | 114859 |
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 |
Class | Description |
---|---|
pyrimidinecarboxylic acid | Any 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
ATAD5 protein, partial | Homo sapiens (human) | Potency | 3.4798 | 0.0041 | 10.8903 | 31.5287 | AID504467; AID624248; AID624249; AID624251; AID624252 |
TDP1 protein | Homo sapiens (human) | Potency | 2.6101 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 79.4328 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 3.5481 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 2.5119 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 11.2202 | 1.9953 | 25.5327 | 50.1187 | AID624288 |
[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) |
---|---|---|---|---|---|---|---|
XBP1 | Homo sapiens (human) | IC50 (µMol) | 1.2600 | 0.1600 | 5.4049 | 10.0000 | AID504313 |
DNA damage-inducible transcript 3 protein | Mus musculus (house mouse) | IC50 (µMol) | 1.5100 | 0.1600 | 3.9959 | 10.0000 | AID504322 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
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. |
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. |
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. |
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. |
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. |
AID651635 | Viability 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] |
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] |