The compound you described, **1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone**, is a complex organic molecule with a very specific structure. Let's break down its parts and potential importance for research:
**Structure Breakdown:**
* **1-(3,4-dihydroxyphenyl)**: This part indicates a phenyl ring (a six-membered ring with alternating single and double bonds) with two hydroxyl groups (OH) attached at positions 3 and 4.
* **2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone**: This complex part describes a chain attached to the phenyl ring. Here's what it means:
* **ethanone**: This is a ketone group (C=O) attached to a two-carbon chain.
* **thio**: This indicates a sulfur atom (S) connecting the ketone to the rest of the chain.
* **[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]**: This is a 1,2,4-triazole ring with several substituents:
* **1,2,4-triazole**: This is a five-membered ring containing three nitrogen atoms.
* **5-(3-methoxyphenyl)**: At position 5 of the triazole ring, there's a phenyl ring with a methoxy group (OCH3) at position 3.
* **4-prop-2-enyl**: At position 4 of the triazole ring, there's a prop-2-enyl group (CH2=CH-CH2-), which is a three-carbon chain with a double bond.
**Potential Research Importance:**
Based on the structure, this compound could be investigated for a variety of reasons:
* **Pharmacological Activity**: The presence of multiple aromatic rings, hydroxyl groups, and a sulfur atom suggests potential for pharmacological activity. These features are often found in molecules that interact with biological targets.
* **Antioxidant Properties**: The hydroxyl groups on the phenyl ring are known to have antioxidant properties. This molecule might exhibit antioxidant activity, which is relevant for studying oxidative stress and disease prevention.
* **Anti-inflammatory Properties**: The combination of the triazole ring and the phenyl ring with hydroxyl groups might result in anti-inflammatory activity.
* **Antimicrobial Activity**: Some triazole derivatives are known to have antimicrobial properties. The presence of the prop-2-enyl group could further enhance this effect.
* **Biological Target Interaction**: The specific structure could allow for interaction with specific biological targets like enzymes, receptors, or DNA.
**How to Find Research on this Compound:**
To find specific research on this compound, you'll need to search databases like PubMed, Google Scholar, or Scifinder. You can use the full chemical name or a simplified version like triazole derivative with phenyl ring and ketone. You can also search for related compounds or specific research topics related to the potential biological activity of this molecule.
**Important Note:** It is crucial to understand that this compound has not been extensively studied, and its biological properties remain to be fully investigated. This information is provided for educational purposes only and should not be interpreted as medical advice.
ID Source | ID |
---|---|
PubMed CID | 1409759 |
CHEMBL ID | 1523111 |
CHEBI ID | 92706 |
Synonym |
---|
1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone |
MLS-0390843.0001 , |
MLS002415566 |
smr001338937 |
STL040922 |
1-(3,4-dihydroxyphenyl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4h-1,2,4-triazol-3-yl]sulfanyl}ethanone |
AKOS005694789 |
bdbm41894 |
1-[3,4-bis(oxidanyl)phenyl]-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone |
1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone |
cid_1409759 |
2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone |
CHEMBL1523111 |
CHEBI:92706 |
Q27164407 |
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, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 28.1838 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
WRN | Homo sapiens (human) | Potency | 2.6679 | 0.1683 | 31.2583 | 100.0000 | AID651768 |
TDP1 protein | Homo sapiens (human) | Potency | 14.5810 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 79.4328 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 39.8107 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
67.9K protein | Vaccinia virus | Potency | 3.9811 | 0.0001 | 8.4406 | 100.0000 | AID720579 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 50.1187 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 11.2202 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 79.4328 | 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 |
lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 39.8107 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
DNA polymerase kappa isoform 1 | Homo sapiens (human) | Potency | 31.6228 | 0.0316 | 22.3146 | 100.0000 | AID588579 |
[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) | 17.4000 | 0.1250 | 16.2603 | 74.8000 | AID1056 |
rac GTPase-activating protein 1 isoform a | Homo sapiens (human) | IC50 (µMol) | 77.7200 | 7.3900 | 57.8904 | 301.2400 | AID624330 |
alkaline phosphatase, germ cell type preproprotein | Homo sapiens (human) | IC50 (µMol) | 9.3250 | 0.1100 | 11.3862 | 67.2000 | AID1017; AID1512 |
Muscarinic acetylcholine receptor M2 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 13.1000 | 0.0005 | 3.3142 | 49.5000 | AID1017 |
[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, intestinal | Homo sapiens (human) | EC50 (µMol) | 100.0000 | 0.2570 | 26.8395 | 81.0000 | AID488873 |
alkaline phosphatase, tissue-nonspecific isozyme isoform 1 preproprotein | Homo sapiens (human) | EC50 (µMol) | 68.0000 | 0.2270 | 25.0904 | 86.8000 | AID488880 |
intestinal alkaline phosphatase precursor | Mus musculus (house mouse) | EC50 (µMol) | 100.0000 | 0.3820 | 42.4691 | 75.0000 | AID488783 |
alkaline phosphatase, germ cell type preproprotein | Homo sapiens (human) | EC50 (µMol) | 47.8000 | 0.5500 | 33.7339 | 74.0000 | AID488878 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1745845 | 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] |