You're describing a molecule with the IUPAC name **1-(3,4-dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)urea**. This is a complex organic compound, and its importance lies in its potential application in various research areas.
Here's a breakdown of its structure and possible significance:
**Structure:**
* **Urea backbone:** The molecule's core is a urea group, which is a common functional group in many biologically active molecules.
* **Aromatic rings:** It features a 3,4-dichlorophenyl ring, which is a substituted benzene ring containing two chlorine atoms. This part of the molecule could contribute to its lipophilicity (ability to dissolve in fats) and potentially influence its interactions with biological membranes.
* **Pyrazole ring:** The other ring present is a 1,3,5-trimethyl-4-pyrazole ring. Pyrazoles are heterocyclic aromatic compounds found in a variety of natural products and pharmaceuticals. The methyl groups attached to the pyrazole ring could contribute to its overall polarity and potentially influence its binding properties.
**Potential Research Applications:**
The specific structure of this compound suggests it could be of interest in research areas like:
* **Medicinal chemistry:** Due to the presence of both aromatic rings and a urea group, this compound could exhibit biological activity. It might act as a ligand for specific receptors or enzymes, potentially leading to applications in drug development.
* **Materials science:** The molecule's combination of functional groups could make it suitable for applications in materials science, such as polymer synthesis or the development of new coatings.
* **Agricultural research:** The compound's structure could be investigated for potential use as a herbicide or pesticide.
**Importance:**
The importance of this compound lies in its potential to be a useful starting point for further research. Researchers might:
* Modify the structure to improve its properties, such as its affinity for specific targets or its stability.
* Explore its biological activity in various assays.
* Use it to synthesize new compounds with different and potentially improved properties.
**Note:** Without further context or information about specific research goals, it's impossible to determine the exact importance or specific research focus surrounding this particular compound. It's important to understand that this is a complex molecule with potential applications in various fields.
ID Source | ID |
---|---|
PubMed CID | 4885280 |
CHEMBL ID | 1393175 |
CHEBI ID | 116096 |
Synonym |
---|
smr000344281 |
MLS000771818 , |
AKOS001378601 |
HMS2727B23 |
1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea |
bdbm78311 |
cid_4885280 |
1-(3,4-dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)urea |
CHEMBL1393175 |
Q27198518 |
CHEBI:116096 |
SR-01000065254-1 |
sr-01000065254 |
Z85919532 |
896254-55-0 |
DTXSID101323084 |
Class | Description |
---|---|
ureas | |
[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) |
---|---|---|---|---|---|---|---|
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 0.0447 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
TDP1 protein | Homo sapiens (human) | Potency | 29.0929 | 0.0008 | 11.3822 | 44.6684 | AID686978 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 35.4813 | 0.1800 | 13.5574 | 39.8107 | AID1468 |
eyes absent homolog 2 isoform a | Homo sapiens (human) | Potency | 15.8489 | 1.1998 | 14.6419 | 50.1187 | AID488837 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
Alpha-synuclein | Homo sapiens (human) | Potency | 31.6228 | 0.5623 | 9.3985 | 25.1189 | AID652106 |
[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) |
---|---|---|---|---|---|---|---|
TPA: protein transporter TIM10 | Saccharomyces cerevisiae S288C | IC50 (µMol) | 22.4000 | 0.5800 | 26.5476 | 75.8000 | AID493003 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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 | |||
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
[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] |