Page last updated: 2024-12-10

1-(4-bromophenyl)-1'-methyl-6'-nitro-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

**1-(4-bromophenyl)-1'-methyl-6'-nitro-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione** is a complex organic molecule with a unique structure that combines features of several different chemical classes, including:

* **Spirocyclic:** It contains a spiro atom (in this case, carbon) connected to two different rings.
* **Heterocyclic:** It features a six-membered heterocyclic ring with nitrogen atoms (diazinane) fused to a quinoline ring.
* **Aromatic:** The quinoline ring and the phenyl groups are aromatic systems.
* **Substituted:** Several functional groups are attached to the molecule, including a bromine atom, a methyl group, and a nitro group.

**Its importance in research stems from several potential applications:**

1. **Pharmacological Activity:** The presence of multiple pharmacophores within the molecule suggests potential biological activity. It could act as a:
* **Antimicrobial agent:** Its structure might interact with bacterial proteins or nucleic acids.
* **Anti-inflammatory agent:** Its structure might inhibit inflammatory pathways.
* **Anticancer agent:** Its structure might disrupt cancer cell growth or proliferation.

2. **Synthetic Building Block:** The molecule's unique structure makes it a valuable building block for the synthesis of novel compounds with interesting properties. By modifying its substituents, researchers could create new molecules with enhanced pharmacological activity or different applications.

3. **Materials Science:** Its rigid structure and multiple functional groups could potentially contribute to the development of novel materials, such as:
* **Organic semiconductors:** Its aromatic and heterocyclic moieties might facilitate electron transport.
* **Photoactive materials:** Its structure might exhibit interesting light-absorbing or emitting properties.

**Important Considerations:**

* The molecule's complexity makes its synthesis challenging.
* Its biological activity needs to be experimentally validated through appropriate biological assays.
* Safety and toxicity studies are crucial before any potential therapeutic applications can be explored.

**In summary, 1-(4-bromophenyl)-1'-methyl-6'-nitro-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione represents a promising lead compound for research in a wide range of fields due to its unique structure and potential pharmacological and material applications.**

Cross-References

ID SourceID
PubMed CID4887037
CHEMBL ID1382268
CHEBI ID108278

Synonyms (15)

Synonym
smr000221165
MLS000331140 ,
CHEBI:108278
1-(4-bromophenyl)-1'-methyl-6'-nitro-2'-phenyl-1',4'-dihydro-2h,2'h-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1h,3h)-trione
STL007897
1-(4-bromophenyl)-1'-methyl-6'-nitro-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
HMS2551G06
STK572884
3-(4-bromophenyl)-6-hydroxy-1'-methyl-6'-nitro-2'-phenyl-1',4'-dihydro-2h,2'h-spiro[pyrimidine-5,3'-quinoline]-2,4(3h)-dione
AKOS005498083
MLS003903896
CHEMBL1382268
Q27186975
AKOS032394622
cid 4887037
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
quinolinesA class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine 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 Targets (16)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency2.81840.004023.8416100.0000AID485290
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency56.23410.631035.7641100.0000AID504339
glp-1 receptor, partialHomo sapiens (human)Potency10.01080.01846.806014.1254AID624172; AID624417
TDP1 proteinHomo sapiens (human)Potency18.35640.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency15.84890.180013.557439.8107AID1460
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency7.94330.28189.721235.4813AID2326
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency11.22020.707936.904389.1251AID504333
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency11.22020.035520.977089.1251AID504332
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency39.81070.036619.637650.1187AID1466; AID2242
chromobox protein homolog 1Homo sapiens (human)Potency28.18380.006026.168889.1251AID540317
mitogen-activated protein kinase 1Homo sapiens (human)Potency35.48130.039816.784239.8107AID1454
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency29.93490.168316.404067.0158AID720504
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency75.68630.425612.059128.1838AID504891
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency22.38720.00798.23321,122.0200AID2551
Neuronal acetylcholine receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency39.81073.548118.039535.4813AID1466
Neuronal acetylcholine receptor subunit beta-2Rattus norvegicus (Norway rat)Potency39.81073.548118.039535.4813AID1466
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, 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]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]