That's a mouthful! Let's break down the compound and its potential significance for research:
**Compound Description:**
* **1-butyl-2-[2-furanyl(oxo)methyl]imino-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxylic acid ethyl ester** is a complex organic molecule with several key features:
* **Dipyrido[3,4-c-1',2'-f]pyrimidine:** This is the core structure, a fused ring system containing two pyridine rings. It is known to be a common scaffold for many biologically active compounds.
* **10-methyl-5-oxo:** These groups likely indicate the position and type of substituents on the pyrimidine ring.
* **1-butyl:** A straight-chain alkyl group (four carbons) attached at position 1 on the pyrimidine ring.
* **2-[2-furanyl(oxo)methyl]imino:** This is a more complex substituent. Furanyl refers to a furan ring (a five-membered ring with one oxygen atom), and (oxo)methyl indicates a carbonyl group (C=O) connected to a methylene group (CH2). The imino indicates that this group is connected to the pyrimidine ring through a nitrogen atom.
* **Carboxylic acid ethyl ester:** This is a functional group that is commonly found in pharmaceuticals. It's a carboxylic acid (COOH) that has been modified by attaching an ethyl group (CH3CH2).
**Potential Importance for Research:**
It's impossible to know for sure without more context, but this compound's structure suggests it could be interesting for research in several areas:
* **Medicinal Chemistry:** The compound's core structure and functional groups are common in pharmaceuticals. It might possess biological activity that could be valuable in developing new drugs.
* **Drug Discovery:** Researchers often synthesize and screen large libraries of compounds, like this one, to identify potential lead candidates for drug development.
* **Organic Chemistry:** The complex structure of this compound could present a synthetic challenge, making it interesting for synthetic chemists to explore new reaction pathways and develop efficient synthetic methods.
* **Material Science:** The compound's properties, such as its potential to form crystals or interact with other materials, could make it useful in developing new materials with specific applications.
**Finding More Information:**
To learn more about this specific compound, you would need to consult scientific databases or research articles that mention it. Searching for its chemical name or structure would help you find relevant information.
Remember, the compound's significance will depend on the specific context of its research or application.
ID Source | ID |
---|---|
PubMed CID | 3474998 |
CHEMBL ID | 3189616 |
CHEBI ID | 107328 |
Synonym |
---|
smr000436188 |
1-butyl-2-[(z)-furan-2-carbonylimino]-8-methyl-10-oxo-1,10-dihydro-2h-1,9,10a-triaza-anthracene-3-car boxylic acid ethyl ester |
MLS000332805 |
CHEBI:107328 |
ethyl (2z)-1-butyl-2-[(furan-2-ylcarbonyl)imino]-10-methyl-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
STK872530 |
AKOS005635012 |
HMS2789K03 |
CHEMBL3189616 |
1-butyl-2-[2-furanyl(oxo)methyl]imino-10-methyl-5-oxo-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxylic acid ethyl ester |
Q27185558 |
ethyl 7-butyl-6-(furan-2-carbonylimino)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate |
Class | Description |
---|---|
pyridopyrimidine | Any organic heterobicyclic compound consisting of a pyridine ring ortho-fused at any position to a pyrimidine 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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 0.0178 | 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 |
acid sphingomyelinase | Homo sapiens (human) | Potency | 25.1189 | 14.1254 | 24.0613 | 39.8107 | AID504937 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 0.7943 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 44.6684 | 0.1000 | 20.8793 | 79.4328 | AID588456 |
TDP1 protein | Homo sapiens (human) | Potency | 19.4622 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 11.2202 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
Smad3 | Homo sapiens (human) | Potency | 3.5481 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
alpha-galactosidase | Homo sapiens (human) | Potency | 44.6684 | 4.4668 | 18.3916 | 35.4813 | AID2107 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 5.6234 | 5.8048 | 36.1306 | 65.1308 | AID540253 |
snurportin-1 | Homo sapiens (human) | Potency | 5.6234 | 5.8048 | 36.1306 | 65.1308 | AID540253 |
GTP-binding nuclear protein Ran isoform 1 | Homo sapiens (human) | Potency | 5.6234 | 5.8048 | 16.9962 | 25.9290 | AID540253 |
urokinase-type plasminogen activator precursor | Mus musculus (house mouse) | Potency | 7.9433 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
plasminogen precursor | Mus musculus (house mouse) | Potency | 7.9433 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
urokinase plasminogen activator surface receptor precursor | Mus musculus (house mouse) | Potency | 7.9433 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
geminin | Homo sapiens (human) | Potency | 12.4347 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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] |