Page last updated: 2024-12-09

1-(4-tert-butylphenyl)-3-(3-pyridinylmethyl)thiourea

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

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.

Cross-References

ID SourceID
PubMed CID2730137
CHEMBL ID1603297
CHEBI ID116877

Synonyms (14)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
thioureasCompounds 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 Targets (11)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency5.01190.003245.467312,589.2998AID2517
glp-1 receptor, partialHomo sapiens (human)Potency8.91250.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency9.19620.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency21.83690.000811.382244.6684AID686978; AID686979
thioredoxin glutathione reductaseSchistosoma mansoniPotency44.66840.100022.9075100.0000AID485364
Smad3Homo sapiens (human)Potency0.10000.00527.809829.0929AID588855
chromobox protein homolog 1Homo sapiens (human)Potency0.63100.006026.168889.1251AID540317
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency29.09290.00419.984825.9290AID504444
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency25.78770.00798.23321,122.0200AID2546; AID2551
gemininHomo sapiens (human)Potency6.51310.004611.374133.4983AID624296
transient receptor potential cation channel subfamily V member 1Homo sapiens (human)Potency2.84810.09120.09120.0912AID623958; AID623959
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (15)

Assay IDTitleYearJournalArticle
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.
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & 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]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (14.29)29.6817
2010's5 (71.43)24.3611
2020's1 (14.29)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.20

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 Index12.20 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.28 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.20)

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%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]