You're describing a compound with a very specific chemical structure. Let's break it down:
* **1-(3,4-dihydroxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone** is a long chemical name, but it tells us a lot.
* **1-(3,4-dihydroxyphenyl)** indicates a benzene ring (C6H6) with two hydroxyl groups (OH) attached at the 3 and 4 positions. This part of the molecule is known as **catechol**.
* **2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone** indicates a pyrimidine ring (C4H4N2) with two methyl groups (CH3) at the 4 and 6 positions and a sulfur atom connected to the 2 position. This entire structure is attached via a sulfur atom to an ethanone group (CH3CO).
**Putting it together:**
The full compound has a catechol group connected to a pyrimidine ring via a sulfur atom and an ethanone group.
**Importance in Research:**
While I can't find specific research about this exact compound, it's likely being studied for potential applications due to the combination of features:
* **Catechol:** This group is known for its antioxidant and anti-inflammatory properties. It's found in many natural compounds and is explored for its potential health benefits.
* **Pyrimidine ring:** This structure is fundamental in DNA and RNA. Modifications to pyrimidines are often studied for their effects on nucleic acid function.
* **Sulfur linkage:** Sulfur-containing molecules are often involved in biological processes, including enzyme activity and signaling pathways.
**To find out more:**
* **Search for variations of the name:** Try searching for 1-(3,4-dihydroxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone or using abbreviations like catechol pyrimidine derivative in scientific databases like PubMed or Google Scholar.
* **Explore similar compounds:** Research on similar compounds with catechol and pyrimidine rings may provide insights into the potential uses of this specific molecule.
Remember, even if this exact compound hasn't been extensively studied yet, its unique structure suggests it could be a starting point for new discoveries in various fields.
| ID Source | ID |
|---|---|
| PubMed CID | 715454 |
| CHEMBL ID | 592869 |
| CHEBI ID | 92662 |
| Synonym |
|---|
| OPREA1_571327 |
| MLS-0315687.0001 |
| MLS-0315687.0002 |
| 1-(3,4-dihydroxy-phenyl)-2-(4,6-dimethyl-pyrimidin-2-ylsulfanyl)-ethanone |
| MLS001206893 |
| smr000518042 |
| MLS002460507 |
| CHEMBL592869 , |
| 1-(3,4-dihydroxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone |
| AKOS000563391 |
| cid_715454 |
| 1-(3,4-dihydroxyphenyl)-2-(4,6-dimethylpyrimidin-2-ylthio)ethanone |
| bdbm50309564 |
| HMS2210M21 |
| CCG-109731 |
| 1-(3,4-dihydroxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone |
| 430447-82-8 |
| HMS3355H08 |
| sr-01000471635 |
| SR-01000471635-1 |
| DTXSID60351964 |
| mfcd02366449 |
| 1-(3,4-dihydroxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone |
| CHEBI:92662 |
| 1-(3,4-dihydroxyphenyl)-2-((4,6-dimethylpyrimidin-2-yl)thio)ethanone |
| Q27164369 |
| cid-715454 |
| SB59340 |
| Class | Description |
|---|---|
| aromatic ketone | A ketone in which the carbonyl group is attached to an aromatic ring. |
| [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, Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | 11.2202 | 0.1409 | 11.1940 | 39.8107 | AID2451 |
| Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 12.5893 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
| phosphopantetheinyl transferase | Bacillus subtilis | Potency | 79.4328 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
| TDP1 protein | Homo sapiens (human) | Potency | 29.0929 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
| nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 5.0119 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
| 67.9K protein | Vaccinia virus | Potency | 5.0119 | 0.0001 | 8.4406 | 100.0000 | AID720579 |
| bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 79.4328 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
| euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 1.7783 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
| DNA polymerase beta | Homo sapiens (human) | Potency | 18.0448 | 0.0224 | 21.0102 | 89.1251 | AID485314; AID540280 |
| peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 56.2341 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
| DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 15.8489 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
| DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 56.2341 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
| urokinase-type plasminogen activator precursor | Mus musculus (house mouse) | Potency | 6.3096 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
| plasminogen precursor | Mus musculus (house mouse) | Potency | 6.3096 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
| urokinase plasminogen activator surface receptor precursor | Mus musculus (house mouse) | Potency | 6.3096 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
| nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 12.5893 | 0.0079 | 8.2332 | 1,122.0200 | AID2546 |
| DNA polymerase kappa isoform 1 | Homo sapiens (human) | Potency | 79.4328 | 0.0316 | 22.3146 | 100.0000 | AID588579 |
| histone acetyltransferase KAT2A isoform 1 | Homo sapiens (human) | Potency | 31.6228 | 0.2512 | 15.8432 | 39.8107 | AID504327 |
| Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 11.2202 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| alkaline phosphatase, tissue-nonspecific isozyme isoform 1 preproprotein | Homo sapiens (human) | IC50 (µMol) | 7.1850 | 0.1250 | 16.2603 | 74.8000 | AID1056 |
| rac GTPase-activating protein 1 isoform a | Homo sapiens (human) | IC50 (µMol) | 30.6100 | 7.3900 | 57.8904 | 301.2400 | AID624330 |
| alkaline phosphatase, germ cell type preproprotein | Homo sapiens (human) | IC50 (µMol) | 17.7333 | 0.1100 | 11.3862 | 67.2000 | AID1017; AID1512 |
| Alkaline phosphatase, tissue-nonspecific isozyme | Homo sapiens (human) | IC50 (µMol) | 8.6000 | 0.0150 | 2.2407 | 8.6000 | AID459065 |
| Alkaline phosphatase, germ cell type | Homo sapiens (human) | IC50 (µMol) | 0.6000 | 0.6000 | 0.9000 | 1.2000 | AID459068 |
| Muscarinic acetylcholine receptor M2 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 49.5000 | 0.0005 | 3.3142 | 49.5000 | AID1017 |
| Phospholipase A-2-activating protein | Homo sapiens (human) | IC50 (µMol) | 2.5000 | 0.0110 | 1.5370 | 2.5000 | AID459064 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| 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). | |||
| 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. |
| 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. |
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| 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. |
| 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. |
| 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. |
| AID1196812 | Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in transcriptional activity after 24 hrs by CACCC-responsive promoter driven TK-luciferase reporter gene assay | 2015 | Journal of medicinal chemistry, Feb-12, Volume: 58, Issue:3 | Discovery of small molecule inhibitors to Krüppel-like factor 10 (KLF10): implications for modulation of T regulatory cell differentiation. |
| AID459064 | Inhibition of PLAP by analogous luminescence assay | 2010 | Bioorganic & medicinal chemistry, Jan-15, Volume: 18, Issue:2 | Design and synthesis of selective inhibitors of placental alkaline phosphatase. |
| AID459070 | Selectivity ratio of IC50 for GCAP to IC50 for PLAP | 2010 | Bioorganic & medicinal chemistry, Jan-15, Volume: 18, Issue:2 | Design and synthesis of selective inhibitors of placental alkaline phosphatase. |
| AID459065 | Inhibition of TNAP by analogous luminescence assay | 2010 | Bioorganic & medicinal chemistry, Jan-15, Volume: 18, Issue:2 | Design and synthesis of selective inhibitors of placental alkaline phosphatase. |
| AID459066 | Inhibition of IAP by analogous luminescence assay | 2010 | Bioorganic & medicinal chemistry, Jan-15, Volume: 18, Issue:2 | Design and synthesis of selective inhibitors of placental alkaline phosphatase. |
| AID459068 | Inhibition of GCAP by analogous luminescence assay | 2010 | Bioorganic & medicinal chemistry, Jan-15, Volume: 18, Issue:2 | Design and synthesis of selective inhibitors of placental alkaline phosphatase. |
| AID459069 | Selectivity ratio of IC50 for IAP to IC50 for PLAP | 2010 | Bioorganic & medicinal chemistry, Jan-15, Volume: 18, Issue:2 | Design and synthesis of selective inhibitors of placental alkaline phosphatase. |
| AID1196811 | Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in transcriptional activity at 100 uM after 24 hrs by CACCC-responsive promoter driven TK-luciferase reporter gene assay | 2015 | Journal of medicinal chemistry, Feb-12, Volume: 58, Issue:3 | Discovery of small molecule inhibitors to Krüppel-like factor 10 (KLF10): implications for modulation of T regulatory cell differentiation. |
| [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 (11.11) | 29.6817 |
| 2010's | 6 (66.67) | 24.3611 |
| 2020's | 2 (22.22) | 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 (12.04) 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 | 9 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||