The compound you've described, **2-(1,3-benzodioxol-5-ylmethylthio)-5-(2-furanyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone**, is a complex organic molecule with a unique structure. Its importance lies in its potential **therapeutic applications**, particularly in the field of **cancer research**.
Here's a breakdown of the structure and why it's noteworthy:
**Structure:**
* **Thieno[2,3-d]pyrimidinone:** This is the core structure, a fused heterocyclic ring system containing both nitrogen and sulfur atoms. This core structure is known to exhibit various biological activities.
* **Substitutions:** The molecule has several substituents attached to this core:
* **1,3-benzodioxol-5-ylmethylthio:** This group contains a benzodioxole ring (a bicyclic ether) and a sulfur atom.
* **2-furanyl:** This is a furan ring, another five-membered heterocycle containing oxygen.
* **Prop-2-enyl:** This is an allyl group, an unsaturated three-carbon chain.
**Importance in Research:**
The specific combination of these structural features makes this compound a promising candidate for various research areas, mainly focusing on **anti-cancer properties**:
* **Potential for Inhibiting Cancer Cell Growth:** Research suggests that compounds containing the thieno[2,3-d]pyrimidinone core often exhibit anti-proliferative activity, which means they can inhibit the growth of cancer cells. The specific substituents attached in this molecule might further enhance this activity.
* **Targeting Specific Cancer Pathways:** The unique structure could potentially target specific pathways involved in cancer cell survival and proliferation. This could lead to the development of more targeted therapies with fewer side effects.
* **Overcoming Drug Resistance:** Many cancer cells develop resistance to existing treatments. This molecule's structure might allow it to bypass these resistance mechanisms and effectively treat cancer.
**Important Notes:**
* **Pre-clinical Research:** While this compound shows promise, it's crucial to remember that it's still in the early stages of research. More studies are needed to validate its effectiveness and safety.
* **Further Investigation:** Researchers are actively exploring the biological activity of this compound through various experiments, including cell culture studies, animal models, and potential clinical trials.
**In conclusion, this complex molecule holds great potential in the fight against cancer, but more research is necessary to fully understand its therapeutic benefits and ensure its safe and effective use in the future.**
ID Source | ID |
---|---|
PubMed CID | 1288186 |
CHEMBL ID | 1580932 |
CHEBI ID | 105537 |
Synonym |
---|
UPCMLD0ENAT5891656:001 |
MLS000536292 , |
3-allyl-2-[(1,3-benzodioxol-5-ylmethyl)thio]-5-(2-furyl)thieno[2,3-d]pyrimidin-4(3h)-one |
smr000143330 |
CHEBI:105537 |
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(furan-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one |
AKOS000813030 |
MLS002546146 |
HMS2409E04 |
690642-81-0 |
3-allyl-2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)thieno[2,3-d]pyrimidin-4(3h)-one |
F3394-0700 |
CHEMBL1580932 |
2-(1,3-benzodioxol-5-ylmethylthio)-5-(2-furanyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone |
Q27183285 |
Z14726359 |
2-{[(2h-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(furan-2-yl)-3-(prop-2-en-1-yl)-3h,4h-thieno[2,3-d]pyrimidin-4-one |
Class | Description |
---|---|
organosulfur heterocyclic compound | |
organic heterobicyclic compound | |
organonitrogen heterocyclic compound | Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms. |
[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, ATP-DEPENDENT DNA HELICASE Q1 | Homo sapiens (human) | Potency | 39.8107 | 0.1259 | 19.1169 | 125.8920 | AID2549 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 50.1187 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
WRN | Homo sapiens (human) | Potency | 50.1187 | 0.1683 | 31.2583 | 100.0000 | AID651768 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 25.1189 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 17.7828 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
regulator of G-protein signaling 4 | Homo sapiens (human) | Potency | 79.4328 | 0.5318 | 15.4358 | 37.6858 | AID504845 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 8.9125 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 67.4555 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 12.5893 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
DNA polymerase kappa isoform 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0316 | 22.3146 | 100.0000 | AID588579 |
Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) | Potency | 1.0000 | 0.3162 | 12.7657 | 31.6228 | AID881 |
Histamine H2 receptor | Cavia porcellus (domestic guinea pig) | Potency | 1.0000 | 0.0063 | 8.2350 | 39.8107 | AID881 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 7.9433 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 25.1189 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
[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. |
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. |
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 | |||
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. |
[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 (16.67) | 29.6817 |
2010's | 4 (66.67) | 24.3611 |
2020's | 1 (16.67) | 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 (12.35) 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 | 6 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |