1,3-Dimethoxy-2-(methylthio)benzene, also known as **2-methylthioresorcinol dimethyl ether**, is an organic compound with the chemical formula C9H12O2S.
**Structure and Properties:**
* It is a colorless to pale yellow solid with a distinct odor.
* It is a derivative of resorcinol, a phenolic compound with two hydroxyl groups.
* The molecule contains two methoxy groups (OCH3) at positions 1 and 3 and a methylthio group (SCH3) at position 2.
**Research Importance:**
1,3-Dimethoxy-2-(methylthio)benzene is important for research due to its diverse applications, including:
* **Synthesis of Pharmaceuticals:** It is a precursor to various pharmacologically active compounds, particularly those with anti-inflammatory and analgesic properties.
* **Organic Synthesis:** It serves as a starting material for the preparation of other organic compounds, particularly thioethers and sulfides.
* **Materials Science:** It has potential applications in the development of new polymers, resins, and adhesives.
* **Chemical Biology:** It can be used as a probe to study the structure and function of enzymes and other biological targets.
**Specific Research Areas:**
* **Anti-Inflammatory Agents:** Studies have shown that derivatives of 1,3-Dimethoxy-2-(methylthio)benzene exhibit anti-inflammatory activity, potentially through inhibition of enzymes involved in inflammation pathways.
* **Anti-Cancer Agents:** Certain derivatives have shown promising anti-cancer activity in preclinical studies.
* **Neuroprotective Agents:** Research is exploring the potential of this compound and its derivatives as neuroprotective agents for conditions like Alzheimer's and Parkinson's diseases.
**Overall, 1,3-Dimethoxy-2-(methylthio)benzene remains an important research compound due to its potential for the development of new drugs, materials, and biological probes.**
| ID Source | ID |
|---|---|
| PubMed CID | 603551 |
| CHEBI ID | 194711 |
| SCHEMBL ID | 4311047 |
| Synonym |
|---|
| IDI1_031474 |
| 1,3-dimethoxy-2-(methylthio)benzene |
| benzene, 1,3-dimethoxy-2-(methylthio)- |
| inchi=1/c9h12o2s/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6h,1-3h |
| MAYBRIDGE4_000892 |
| HMS1523I12 |
| 1,3-dimethoxy-2-methylsulanylbenzene |
| CHEBI:194711 |
| 1,3-dimethoxy-2-methylsulfanylbenzene |
| AKOS006229028 |
| 33617-67-3 |
| FT-0606674 |
| benzene,1,3-dimethoxy-2-(methylthio)- |
| SCHEMBL4311047 |
| 1,3-dimethoxy-2-(methylsulfanyl)benzene # |
| DTXSID40345301 |
| 1,3-dimethoxy-2-(methylthio)benzene, aldrichcpr |
| mfcd00010334 |
| (2,6-dimethoxyphenyl)(methyl)sulfane |
| AS-82083 |
| Class | Description |
|---|---|
| dimethoxybenzene | Any methoxybenzene that consists of a benzene skeleton substituted with two methoxy groups and its derivatives. |
| [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] | |
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
| AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & 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. |
| AID1159607 | Screen for inhibitors of RMI FANCM (MM2) intereaction | 2016 | Journal of biomolecular screening, Jul, Volume: 21, Issue:6 | A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway. |
| AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2014 | Journal of biomolecular screening, Jul, Volume: 19, Issue:6 | A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum. |
| AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | |||
| [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 | 0 (0.00) | 29.6817 |
| 2010's | 4 (80.00) | 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 (13.13) 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] | ||