1-(4-tert-butylphenyl)-3-(3-pyridinylmethyl)thiourea is a complex organic compound with the following structure:
* **1-(4-tert-butylphenyl)** refers to a phenyl ring (C6H5) with a tert-butyl group (C(CH3)3) attached at the para position (position 4).
* **3-(3-pyridinylmethyl)** refers to a pyridinylmethyl group (CH2-C5H4N) attached at position 3 of the thiourea molecule.
* **Thiourea** is a molecule with the formula (NH2)2CS, with a sulfur atom replacing the oxygen atom of urea.
This molecule is likely important for research due to its potential biological activities, which are linked to the presence of both the phenyl and the pyridinylmethyl groups:
* **Phenyl group:** Aromatic rings like phenyl are often found in pharmacologically active compounds. They can contribute to the compound's ability to interact with biological targets such as enzymes, receptors, or DNA.
* **Pyridinylmethyl group:** Pyridine derivatives are known for their diverse biological activities, including anti-inflammatory, antimicrobial, and anticancer properties. The pyridinylmethyl group might enhance the compound's interaction with specific biological targets.
* **Thiourea group:** Thioureas are known to be bioactive, often displaying antimicrobial, anti-inflammatory, and antioxidant properties. They can also act as chelating agents, which might be beneficial for some biological applications.
**Possible Research Applications:**
This compound could be studied for its potential as:
* **Antimicrobial agent:** The combination of a phenyl and pyridinylmethyl group, coupled with the thiourea functionality, could lead to potent antibacterial or antifungal activity.
* **Anti-inflammatory agent:** The pyridinylmethyl group, along with the thiourea functionality, may contribute to anti-inflammatory properties, potentially useful for treating inflammatory conditions.
* **Chemotherapeutic agent:** The presence of the phenyl ring and the thiourea group might result in cytotoxic activity, making it a potential candidate for cancer research.
* **Drug development:** This molecule could serve as a lead compound for further chemical modifications and optimization to develop novel drugs with improved therapeutic properties.
**Important Note:** It's crucial to understand that the actual importance and specific research applications of 1-(4-tert-butylphenyl)-3-(3-pyridinylmethyl)thiourea are yet to be fully investigated. Further research is needed to determine its precise biological effects and potential therapeutic uses.
ID Source | ID |
---|---|
PubMed CID | 2730137 |
CHEMBL ID | 1603297 |
CHEBI ID | 116877 |
Synonym |
---|
OPREA1_493473 |
MLS000861568 |
smr000460352 |
n-[4-(tert-butyl)phenyl]-n'-(3-pyridinylmethyl)thiourea |
MAYBRIDGE4_003510 |
NCGC00175769-01 |
CHEBI:116877 |
HMS1530P12 |
BRD-K30076704-001-01-6 |
1-(4-tert-butylphenyl)-3-(pyridin-3-ylmethyl)thiourea |
HMS2789J06 |
CHEMBL1603297 |
1-(4-tert-butylphenyl)-3-(3-pyridinylmethyl)thiourea |
Q27203099 |
Class | Description |
---|---|
thioureas | Compounds of general formula RR'NC(=S)NR''R'''. |
[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 | 5.0119 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 8.9125 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 9.1962 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 21.8369 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 44.6684 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
Smad3 | Homo sapiens (human) | Potency | 0.1000 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 0.6310 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 25.7877 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
geminin | Homo sapiens (human) | Potency | 6.5131 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
transient receptor potential cation channel subfamily V member 1 | Homo sapiens (human) | Potency | 2.8481 | 0.0912 | 0.0912 | 0.0912 | AID623958; AID623959 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21 | Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. |
[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 (14.29) | 29.6817 |
2010's | 5 (71.43) | 24.3611 |
2020's | 1 (14.29) | 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 (12.20) 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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |