## [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.
ID Source | ID |
---|---|
PubMed CID | 2795488 |
CHEMBL ID | 1412532 |
CHEBI ID | 194615 |
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 |
Class | Description |
---|---|
imidazoles | A 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 0.1585 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
DNA polymerase beta | Homo sapiens (human) | Potency | 100.0000 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 79.4328 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID651635 | Viability 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] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 1 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 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 (12.56) 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 | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |