You've described a rather complex molecule, (5R)-3'-phenyl-1-(phenylmethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione. Let's break it down and understand its potential significance in research:
**Structure:**
* **Spirocyclic:** This molecule features a spirocyclic system, meaning it has two rings sharing a single atom (the spiro atom).
* **Heterocycles:** It contains several heterocycles, rings with atoms other than carbon, including a diazinane ring and a tetrahydropyrazinoquinoline ring.
* **Functional groups:** It has phenyl rings, a carbonyl group (the ketone), and chiral center denoted by (5R).
**Importance in Research:**
Without specific context, it's impossible to pinpoint the exact importance of this molecule. However, its structure hints at potential roles in various research areas:
* **Medicinal Chemistry:** The complex structure with multiple rings and functional groups suggests it could possess interesting biological activity. This could lead to investigations for potential use as:
* **Drug candidates:** The molecule could be screened for its ability to interact with specific biological targets, leading to development of new drugs for various diseases.
* **Probes:** The structure could be modified and used as a probe to study specific biological processes or to identify new drug targets.
* **Organic Chemistry:** This compound could be used as a starting material or building block for synthesis of other complex molecules. Its unique structure might be exploited for:
* **Synthesis of novel materials:** Its properties could be tailored for specific applications like polymers, catalysts, or sensors.
* **Developing new synthetic methods:** The synthesis of this complex molecule could lead to new synthetic strategies and methodologies.
* **Theoretical Chemistry:** Studying this compound's structure and properties might lead to advancements in understanding:
* **Molecular modeling:** The molecule could be used to test and refine computational methods for predicting molecular properties.
* **Structure-activity relationships:** Understanding the relationship between the molecule's structure and its activity could lead to better design of new compounds.
**To understand the true significance of this molecule, you need more information:**
* **Where did you encounter it?** Was it mentioned in a scientific paper, patent, or other source?
* **What is its specific purpose or context?** What are the researchers trying to achieve with this molecule?
With more details, we can better understand why this specific compound might be of interest in research.
ID Source | ID |
---|---|
PubMed CID | 5389997 |
CHEMBL ID | 1304131 |
CHEBI ID | 121533 |
Synonym |
---|
smr000047448 |
MLS000042259 , |
CHEBI:121533 |
(5r)-1-benzyl-3'-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1h-pyrazino[1,2-a]quinoline]-2,4,6-trione |
MLS002584124 |
CHEMBL1304131 |
HMS2375K20 |
(5r)-3''-phenyl-1-(phenylmethyl)spiro[1,3-diazinane-5,5''-2,4,4a,6-tetrahydro-1h-pyrazino[1,2-a]quinoline]-2,4,6-trione |
(5r)-1''-benzyl-3-phenyl-spiro[2,4,4a,6-tetrahydro-1h-pyrazino[1,2-a]quinoline-5,5''-hexahydropyrimidine]-2'',4'',6''-trione |
(5r)-1-benzyl-3''-phenylspiro[1,3-diazinane-5,5''-2,4,4a,6-tetrahydro-1h-pyrazino[1,2-a]quinoline]-2,4,6-trione |
bdbm71703 |
cid_5389997 |
Q27210089 |
(5r)-3'-phenyl-1-(phenylmethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1h-pyrazino[1,2-a]quinoline]-2,4,6-trione |
AKOS032394545 |
Class | Description |
---|---|
piperazines | |
[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, HADH2 protein | Homo sapiens (human) | Potency | 31.6228 | 0.0251 | 20.2376 | 39.8107 | AID893 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 31.6228 | 0.0251 | 20.2376 | 39.8107 | AID893 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 89.1251 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 25.1189 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
Chain A, Cruzipain | Trypanosoma cruzi | Potency | 39.8107 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 70.7946 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 14.5810 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 21.8528 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 35.7168 | 0.1800 | 13.5574 | 39.8107 | AID1460; AID1468 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 35.4813 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 22.3872 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 11.2202 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 5.0119 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 70.7946 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
enteropeptidase precursor | Homo sapiens (human) | Potency | 10.0000 | 3.1623 | 8.1369 | 10.0000 | AID493169 |
ubiquitin carboxyl-terminal hydrolase 2 isoform a | Homo sapiens (human) | Potency | 12.6772 | 0.6561 | 9.4520 | 25.1189 | AID463254; AID493168; AID493170; AID927 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 19.9526 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 15.8489 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) | Potency | 31.6228 | 0.3162 | 12.7657 | 31.6228 | AID881 |
Histamine H2 receptor | Cavia porcellus (domestic guinea pig) | Potency | 31.6228 | 0.0063 | 8.2350 | 39.8107 | AID881 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 14.5919 | 1.9953 | 25.5327 | 50.1187 | AID624287; AID624288 |
Disintegrin and metalloproteinase domain-containing protein 17 | Homo sapiens (human) | Potency | 10.0000 | 1.5849 | 13.0043 | 25.1189 | AID927 |
[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) |
---|---|---|---|---|---|---|---|
Hsf1 protein | Mus musculus (house mouse) | EC50 (µMol) | 260.0000 | 0.1600 | 24.4900 | 236.5000 | AID435004 |
[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) |
---|---|---|---|---|---|---|---|
Hsf1 protein | Mus musculus (house mouse) | AbsAC40_uM | 2.5100 | 1.2400 | 12.4600 | 25.2000 | AID602296 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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 | |||
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. |
[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] |