Page last updated: 2024-12-10

1-(phenylmethyl)-4-(phenylmethylthio)pyrazolo[3,4-d]pyrimidine

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 compound with a rather complex chemical name: **1-(phenylmethyl)-4-(phenylmethylthio)pyrazolo[3,4-d]pyrimidine**. While I don't have access to specific research data on this compound, I can break down its structure and explain why compounds with similar structures are often of interest in research:

**Understanding the Structure:**

* **Pyrazolo[3,4-d]pyrimidine:** This part of the name refers to a fused ring system. It's a core structure commonly found in many drugs and biologically active molecules.
* **1-(phenylmethyl)-:** This indicates a benzyl group (a phenyl ring attached to a CH2 group) is attached at the 1 position of the pyrazolo[3,4-d]pyrimidine ring.
* **4-(phenylmethylthio)-:** This indicates another benzyl group, but this time it's linked through a sulfur atom (thio) at the 4 position of the pyrazolo[3,4-d]pyrimidine ring.

**Why this type of structure might be of interest in research:**

* **Potential for Drug Development:** Compounds with similar structures to 1-(phenylmethyl)-4-(phenylmethylthio)pyrazolo[3,4-d]pyrimidine are often investigated as potential drugs.
* **Targeting Specific Enzymes:** Pyrazolo[3,4-d]pyrimidine derivatives have shown activity against a range of enzymes, including kinases, which play crucial roles in cellular signaling.
* **Biological Activity:** The benzyl groups on this molecule might contribute to its ability to bind to biological targets, making it more selective and potent.

* **Chemical Exploration:** Even if this specific compound isn't directly linked to a known drug, it could be of interest to researchers for several reasons:
* **Studying Structure-Activity Relationships (SAR):** By comparing the activity of this compound to other structurally similar pyrazolo[3,4-d]pyrimidine derivatives, scientists can learn how different substituents affect biological activity. This helps them design better drugs.
* **Synthesizing New Compounds:** This compound might serve as a starting point for creating other novel molecules with potentially interesting biological properties.

**To find more information, you'll likely need to:**

* **Search chemical databases:** Databases like PubChem, SciFinder, or Reaxys can provide information about the compound's properties, known syntheses, and any published research.
* **Consult scientific literature:** Searching for publications related to pyrazolo[3,4-d]pyrimidine derivatives or related chemical classes may reveal information about the compound or similar structures.
* **Contact researchers specializing in medicinal chemistry or drug discovery:** They might be able to provide more specific insights into the potential significance of this compound.

Remember, without specific research data, it's impossible to say with certainty why 1-(phenylmethyl)-4-(phenylmethylthio)pyrazolo[3,4-d]pyrimidine might be important. However, its structure suggests it could be a promising candidate for further investigation in the field of medicinal chemistry.

Cross-References

ID SourceID
PubMed CID3842823
CHEMBL ID245962
CHEBI ID115723

Synonyms (14)

Synonym
STL349058
1-benzyl-4-(benzylsulfanyl)-1h-pyrazolo[3,4-d]pyrimidine
smr000148620
MLS000557904
1-benzyl-4-benzylsulfanyl-1h-pyrazolo[3,4-d]pyrimidine
1-benzyl-4-benzylthio-1h-pyrazolo[3,4-d]pyrimidine
1-benzyl-4-benzylsulfanyl-pyrazolo[3,4-d]pyrimidine
CHEBI:115723
CHEMBL245962
1-benzyl-4-benzylsulfanylpyrazolo[3,4-d]pyrimidine
HMS2410P04
AKOS022095920
Q27198074
1-(phenylmethyl)-4-(phenylmethylthio)pyrazolo[3,4-d]pyrimidine
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
pyrazolopyrimidine
[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 (14)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency50.11870.631035.7641100.0000AID504339
Chain A, Ferritin light chainEquus caballus (horse)Potency25.11895.623417.292931.6228AID485281
TDP1 proteinHomo sapiens (human)Potency29.09290.000811.382244.6684AID686978
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency28.18380.707912.194339.8107AID720542
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency19.95260.011212.4002100.0000AID1030
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency25.11890.707936.904389.1251AID504333
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency25.11890.035520.977089.1251AID504332
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency31.62280.001815.663839.8107AID894
chromobox protein homolog 1Homo sapiens (human)Potency79.43280.006026.168889.1251AID540317
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency32.64270.00419.984825.9290AID504444
pyruvate kinase PKM isoform aHomo sapiens (human)Potency5.01190.04017.459031.6228AID1631; AID1634
survival motor neuron protein isoform dHomo sapiens (human)Potency3.54810.125912.234435.4813AID1458
lamin isoform A-delta10Homo sapiens (human)Potency19.95260.891312.067628.1838AID1487
Inositol monophosphatase 1Rattus norvegicus (Norway rat)Potency1.00001.000010.475628.1838AID1457
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (14)

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.
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.
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.
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.
AID306130Antimycobacterial activity against Mycobacterium tuberculosis H37Rv2007Bioorganic & medicinal chemistry letters, Mar-15, Volume: 17, Issue:6
New thiopyrazolo[3,4-d]pyrimidine derivatives as anti-mycobacterial agents.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's2 (33.33)29.6817
2010's3 (50.00)24.3611
2020's1 (16.67)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.41

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 Index12.41 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.41)

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%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]