The compound you're describing, **1-[4-(3,4-dihydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone**, is a complex organic molecule with a structure that includes a pyrimidine ring system, a phenyl ring, and a sulfanylidene group. It's a derivative of the pyrimidine scaffold, a common structural motif found in various biologically active compounds.
**Importance for Research:**
This compound is likely being investigated for its potential pharmacological activity. Here's why it might be of interest to researchers:
* **Pyrimidine Analogs:** Pyrimidines are essential components of DNA and RNA. Modifications to the pyrimidine ring system can lead to compounds with diverse biological properties, including:
* **Antiviral activity:** Compounds interfering with viral replication or targeting viral enzymes.
* **Antibacterial activity:** Compounds inhibiting bacterial growth or essential metabolic pathways.
* **Anti-cancer activity:** Compounds inhibiting cell growth or inducing apoptosis (programmed cell death).
* **Immunomodulatory activity:** Compounds modulating the immune system response.
* **Presence of Phenyl Ring and Sulfanylidene Group:** These structural features are common in many pharmaceuticals and can contribute to:
* **Increased lipophilicity:** This can enhance penetration through cell membranes, improving drug absorption and distribution.
* **Improved binding affinity:** These moieties might form favorable interactions with target proteins, enhancing drug potency.
* **Presence of Hydroxyl Groups:** The 3,4-dihydroxyphenyl group suggests the molecule could act as an antioxidant or have potential as a prodrug, which is a compound that is inactive but gets converted into an active drug in the body.
**Further Research Needed:**
Without additional information, it's impossible to say definitively what the specific research focus is for this compound. However, the unique structural features suggest it's likely being studied for its potential therapeutic applications in various areas of medicine.
**To gain further insight into the importance of this compound, you'd need to consult scientific publications or research databases that might be investigating it.**
ID Source | ID |
---|---|
PubMed CID | 2940367 |
CHEMBL ID | 1537025 |
CHEBI ID | 112169 |
Synonym |
---|
MLS000621738 |
smr000299469 |
1-[4-(3,4-dihydroxyphenyl)-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]ethanone |
CHEBI:112169 |
AKOS003810938 |
HMS2692J10 |
1-[4-(3,4-dihydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1h-pyrimidin-5-yl]ethanone |
CHEMBL1537025 |
Q27192271 |
SR-01000263179-1 |
sr-01000263179 |
1-[4-(3,4-dihydroxyphenyl)-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]-1-ethanone |
Class | Description |
---|---|
olefinic compound | Any organic molecular entity that contains at least one C=C bond. |
[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 | 12.5893 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 22.3872 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Chain A, ATP-DEPENDENT DNA HELICASE Q1 | Homo sapiens (human) | Potency | 22.3872 | 0.1259 | 19.1169 | 125.8920 | AID2549 |
GLS protein | Homo sapiens (human) | Potency | 8.9125 | 0.3548 | 7.9355 | 39.8107 | AID624170 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 4.4668 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 25.1189 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 50.1187 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 8.9125 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 3.1623 | 0.0366 | 19.6376 | 50.1187 | AID2100 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 35.4813 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
DNA polymerase beta | Homo sapiens (human) | Potency | 3.9811 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 95.2834 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 25.1189 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 17.7828 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 25.1189 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 56.2341 | 6.3096 | 60.2008 | 112.2020 | AID720709 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 8.9125 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
guanyl-nucleotide exchange factor activity | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
protein binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
protein domain specific binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
cAMP binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
hormone activity | Glycoprotein hormones alpha chain | Homo sapiens (human) |
protein binding | Glycoprotein hormones alpha chain | Homo sapiens (human) |
follicle-stimulating hormone activity | Glycoprotein hormones alpha chain | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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 | |||
[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] |