Page last updated: 2024-12-09

1-[1-(phenylmethyl)-4-piperidinyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea

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

You're asking about a chemical compound, **1-[1-(phenylmethyl)-4-piperidinyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea**. This compound is also known by its IUPAC name, **N-(1-benzylpiperidin-4-yl)-N'-(2,4,4-trimethylpentan-2-yl)thiourea**.

This is a complex molecule with a long and descriptive name! To understand its importance in research, we need to break down its structure and identify potential applications.

**Understanding the Structure:**

* **Thiourea:** This is the core of the molecule. Thiourea is a sulfur-containing organic compound often used in chemical reactions and synthesis.
* **Piperidinyl:** A six-membered ring structure containing a nitrogen atom. This is a common motif in pharmaceuticals.
* **Phenylmethyl (benzyl):** A benzene ring attached to a methylene group (-CH2-). This structure adds aromaticity and potential for interactions with biological targets.
* **2,4,4-trimethylpentan-2-yl:** A branched alkyl group. This group adds bulk and hydrophobicity to the molecule.

**Potential Importance in Research:**

Based on its structure, this compound could be investigated for various research purposes:

* **Pharmacology:**
* **Anti-inflammatory activity:** Thiourea derivatives are known to have anti-inflammatory properties, potentially mediated by the piperidine ring and the sulfur atom.
* **Central nervous system activity:** The combination of a piperidine ring and a phenylmethyl group suggests potential for interactions with neurotransmitters and receptors in the brain. This could lead to the development of drugs for conditions like anxiety or depression.
* **Materials science:**
* **Polymer synthesis:** Thiourea derivatives can act as catalysts in polymer synthesis, leading to new materials with unique properties.
* **Organic electronics:** The presence of sulfur and aromatic rings could be beneficial for developing materials for organic light-emitting diodes (OLEDs) or other electronic devices.

**Key Points:**

* This compound's structure hints at potential for biological and chemical applications.
* Further research is needed to determine its exact properties and potential benefits.
* It's important to note that without specific studies on this compound, it's difficult to say definitively why it is important for research.

**Additional Notes:**

* You may find more information about this compound by searching databases like PubChem or SciFinder.
* If you're interested in learning more about thiourea derivatives, you can find a wealth of information in scientific journals and online databases.

If you have further questions about this compound or its potential applications, feel free to ask!

Cross-References

ID SourceID
PubMed CID2098765
CHEMBL ID1465096
CHEBI ID120982

Synonyms (12)

Synonym
OPREA1_784558
smr000261928
MLS000394524
CHEBI:120982
1-(1-benzylpiperidin-4-yl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
AKOS001057072
HMS2546I18
CHEMBL1465096
AB00020534-01
1-[1-(phenylmethyl)-4-piperidinyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea
Q27209209
Z45824860
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
piperidines
[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 (19)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
glp-1 receptor, partialHomo sapiens (human)Potency11.22020.01846.806014.1254AID624417
TDP1 proteinHomo sapiens (human)Potency4.89220.000811.382244.6684AID686978; AID686979
Smad3Homo sapiens (human)Potency35.48130.00527.809829.0929AID588855
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency39.81070.011212.4002100.0000AID1030
67.9K proteinVaccinia virusPotency14.12540.00018.4406100.0000AID720580
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency44.66840.707936.904389.1251AID504333
P53Homo sapiens (human)Potency35.48130.07319.685831.6228AID504706
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency10.00000.035520.977089.1251AID504332
polyunsaturated fatty acid lipoxygenase ALOX12Homo sapiens (human)Potency25.11891.000012.232631.6228AID1452
mitogen-activated protein kinase 1Homo sapiens (human)Potency22.38720.039816.784239.8107AID1454
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency12.06270.00798.23321,122.0200AID2546; AID2551
gemininHomo sapiens (human)Potency30.86780.004611.374133.4983AID624296; AID624297
lamin isoform A-delta10Homo sapiens (human)Potency35.48130.891312.067628.1838AID1487
[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)
Mcl-1Homo sapiens (human)IC50 (µMol)54.00000.40007.134454.0000AID1418
Muscarinic acetylcholine receptor M1Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00052.773925.1700AID1418
Muscarinic acetylcholine receptor M3Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00052.891925.1700AID1418
Muscarinic acetylcholine receptor M4Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00052.747825.1700AID1418
Muscarinic acetylcholine receptor M5Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00052.780225.1700AID1418
Muscarinic acetylcholine receptor M2Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00053.314249.5000AID1418
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
AID1745845Primary 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.
[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]