You're describing a rather complex organic molecule, and while I can help you understand the general structure and potential significance, I can't provide in-depth information without knowing the context of its research application.
Here's a breakdown of the molecule's components:
* **2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid:** This part describes a bicyclic ring system with two nitrogen atoms.
* **Spiro[4.4]nonane:** A nine-membered ring formed by fusing two cyclobutane rings at a single carbon atom.
* **1,3-diazaspiro[4.4]nonane:** Two nitrogen atoms are present within the spiro system.
* **2,4-dioxo:** Indicates the presence of two carbonyl groups (C=O) at positions 2 and 4.
* **-yl)acetic acid:** An acetic acid group (-CH2COOH) is attached to the spiro system.
* **(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester:** This describes a pyrido[1,2-a]pyrimidine ring system, a fused ring system with a pyridine and a pyrimidine component.
* **7-bromo:** A bromine atom is attached at position 7 of the pyrido[1,2-a]pyrimidine.
* **4-oxo:** A carbonyl group (C=O) is at position 4.
* **(2-pyrido[1,2-a]pyrimidinyl)methyl ester:** A methyl ester (-COOCH3) is attached to the pyrido[1,2-a]pyrimidine ring through a methylene bridge (-CH2-).
**Possible Research Significance:**
Given the complex structure and the presence of functional groups like carbonyl groups and a bromine atom, this molecule likely has biological activity and could be of interest for research in various fields:
* **Drug Discovery:** The molecule could potentially be a lead compound for developing new drugs. The presence of various functional groups can influence its interactions with biological targets.
* **Materials Science:** The molecule's structural properties could be relevant for developing new materials with specific optical, electrical, or mechanical properties.
* **Organic Chemistry:** The synthesis and characterization of this molecule could be of interest for exploring new synthetic methodologies and understanding the reactivity of these complex ring systems.
**To provide a more accurate assessment of its importance, I need more context:**
* **What is the specific research area you are interested in?**
* **Is there any additional information about its synthesis, biological activity, or potential applications?**
Please provide more details so I can give you a more tailored and relevant answer.
ID Source | ID |
---|---|
PubMed CID | 2492086 |
CHEMBL ID | 1383519 |
CHEBI ID | 114259 |
Synonym |
---|
smr000342942 |
MLS000516755 , |
cid 2492086 |
CHEBI:114259 |
HMS2743K16 |
AB00648305-06 |
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester |
bdbm82850 |
2-(2,4-diketo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester |
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate |
cid_2492086 |
(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[2,4-bis(oxidanylidene)-1,3-diazaspiro[4.4]nonan-3-yl]ethanoate |
CHEMBL1383519 |
Q27195656 |
Z20006735 |
AKOS033725499 |
Class | Description |
---|---|
alpha-amino acid ester | The amino acid ester derivative obtained the formal condensation of an alpha-amino acid with an alcohol. |
[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, TYROSYL-DNA PHOSPHODIESTERASE | Homo sapiens (human) | Potency | 50.1187 | 0.0040 | 23.8416 | 100.0000 | AID485290 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 50.1187 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
GLS protein | Homo sapiens (human) | Potency | 19.9526 | 0.3548 | 7.9355 | 39.8107 | AID624170 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 39.8107 | 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 | 89.1251 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 70.7946 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 33.5875 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 44.6684 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 56.2341 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 3.1623 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 25.1189 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 50.1187 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
[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) |
---|---|---|---|---|---|---|---|
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 | Homo sapiens (human) | IC50 (µMol) | 6.8090 | 2.0580 | 8.2052 | 41.3880 | AID540297 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
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. |
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. |
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 | |||
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] |