Page last updated: 2024-12-09

[1-Benzyl-2-(methylsulfanyl)-1H-imidazol-5-yl]methanol

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

## [1-Benzyl-2-(methylsulfanyl)-1H-imidazol-5-yl]methanol: A Key Building Block for Anti-Inflammatory Agents

**[1-Benzyl-2-(methylsulfanyl)-1H-imidazol-5-yl]methanol**, often abbreviated as **(BMS)MeOH**, is a **heterocyclic compound** with a unique structure. Its importance lies in its role as a **key intermediate in the synthesis of various biologically active compounds**, particularly those with **anti-inflammatory properties**.

**Here's a breakdown of its significance:**

* **Structure:** The molecule consists of an imidazole ring with a benzyl group at the 1-position, a methylthio group at the 2-position, and a hydroxymethyl group at the 5-position.
* **Chemical Reactivity:** The presence of the hydroxymethyl group makes (BMS)MeOH a versatile building block for organic synthesis. It can be readily modified to introduce different functional groups, allowing for the creation of a wide range of derivatives.
* **Biological Activity:** Many derivatives of (BMS)MeOH have shown promising anti-inflammatory activity in research studies. These derivatives typically target specific inflammatory pathways, such as the **inhibition of COX-2 enzyme**, which plays a crucial role in inflammation.
* **Clinical Potential:** The potential anti-inflammatory effects of (BMS)MeOH derivatives have led to significant research efforts focused on developing them as new therapeutic agents for treating inflammatory diseases like rheumatoid arthritis, osteoarthritis, and inflammatory bowel disease.

**Research Applications:**

* **Medicinal Chemistry:** (BMS)MeOH is widely used as a starting material in the synthesis of new anti-inflammatory drugs. Researchers are exploring its structural modifications to optimize its pharmacological properties and minimize potential side effects.
* **Drug Discovery:** The compound's ability to modulate inflammation makes it a valuable tool for screening and identifying novel anti-inflammatory agents.
* **Target Validation:** (BMS)MeOH derivatives can be used to validate the role of specific inflammatory pathways in disease pathogenesis.
* **Biochemical Studies:** (BMS)MeOH and its derivatives can serve as probes to investigate the mechanisms of action of various inflammatory signaling pathways.

In summary, [1-Benzyl-2-(methylsulfanyl)-1H-imidazol-5-yl]methanol is a key intermediate in the synthesis of anti-inflammatory agents. Its unique structure and reactivity make it a valuable tool for research in medicinal chemistry, drug discovery, and target validation. Its potential to contribute to the development of effective and safe treatments for inflammatory diseases continues to drive ongoing research efforts.

Cross-References

ID SourceID
PubMed CID2795488
CHEMBL ID1412532
CHEBI ID194615

Synonyms (25)

Synonym
CCG-190653
SDCCGMLS-0066075.P001
smr000291123
MLS000718855
BIONET2_000373
HMS1365A21
AKOS000588348
(3-benzyl-2-methylsulfanylimidazol-4-yl)methanol
[1-benzyl-2-(methylsulfanyl)-1h-imidazol-5-yl]methanol
CHEBI:194615
(3-benzyl-2-methylsulanylimidazol-4-yl)methanol
HMS2726O13
1-benzyl-5-hydroxymethyl-2-methylthio-1h-imidazole
338414-90-7
3M-507S
J-502715
CHEMBL1412532
DTXSID40383708
mfcd01568343
[1-benzyl-2-(methylsulfanyl)-1h-imidazol-5-yl]methanol, aldrichcpr
[1-benzyl-2-(methylthio)-1h-imidazol-5-yl]methanol
CS-0207315
(1-benzyl-2-(methylthio)-1h-imidazol-5-yl)methanol
A875183
[1-benzyl-2-(methylsulfanyl)-1h-imidazole-5-yl]methanol
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
imidazolesA five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton.
[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 (3)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency0.15850.003245.467312,589.2998AID2517
DNA polymerase betaHomo sapiens (human)Potency100.00000.022421.010289.1251AID485314
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency79.43280.050127.073689.1251AID588590
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

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