The compound you're describing, **2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester**, is a complex molecule with a rather unwieldy name. Let's break down its structure and potential importance in research:
**Structure Breakdown:**
* **2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid:** This part of the molecule contains a benzothiazine ring system (a six-membered ring containing both benzene and thiazine components) with a ketone group (C=O) attached to the ring and a carboxylic acid group (COOH) attached to a side chain.
* **(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester:** This part involves a benzopyran ring system (a six-membered ring with a fused pyran ring), a methoxy group (OCH3) attached to the ring, a ketone group, and an ester linkage. The ester connects this portion of the molecule to the acetic acid part.
**Importance in Research:**
The importance of this compound is likely related to its structure and the types of molecules it resembles. Here's why it could be interesting for research:
* **Potential Drug-Like Properties:** The presence of a benzothiazine ring system and various functional groups like ketones, esters, and carboxylic acids suggests that this compound could have pharmacological activity. These groups are common in drugs that target various biological systems.
* **Targeting Biological Pathways:** The specific structure and functional groups in this compound could lead to interactions with certain proteins or enzymes. Researchers might study its ability to bind to specific targets and potentially modulate their activity.
* **Structure-Activity Relationship Studies:** This molecule could be part of a series of compounds synthesized to understand the relationship between a compound's structure and its biological activity. By modifying different parts of the molecule, researchers can determine which structural features contribute to its pharmacological effect.
* **Synthetic Chemistry Applications:** The complex structure of this compound could be interesting for synthetic chemists to develop new methods for constructing similar molecules. These synthetic approaches could lead to the development of new drugs or other useful molecules.
**To understand its specific research relevance, you would need more context:**
* **What is the research area?** For example, is it related to cancer, inflammation, or neurodegenerative diseases?
* **What are the specific biological targets being investigated?**
* **What are the expected pharmacological effects?**
Without this additional information, it's difficult to pinpoint the precise significance of this particular compound in research.
ID Source | ID |
---|---|
PubMed CID | 4438634 |
CHEMBL ID | 1418440 |
CHEBI ID | 105443 |
Synonym |
---|
HMS2619L04 |
smr000249136 |
MLS000334378 , |
CHEBI:105443 |
(7-methoxy-2-oxochromen-4-yl)methyl 2-(3-oxo-4h-1,4-benzothiazin-2-yl)acetate |
AB00562403-02 |
(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(3-oxidanylidene-4h-1,4-benzothiazin-2-yl)ethanoate |
2-(3-keto-4h-1,4-benzothiazin-2-yl)acetic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester |
cid_4438634 |
bdbm73516 |
2-(3-oxo-4h-1,4-benzothiazin-2-yl)acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester |
CHEMBL1418440 |
Q27183176 |
Z16383923 |
AKOS033490264 |
Class | Description |
---|---|
coumarins | |
[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, Cruzipain | Trypanosoma cruzi | Potency | 31.6228 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 26.8545 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
ClpP | Bacillus subtilis | Potency | 19.9526 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
chaperonin-containing TCP-1 beta subunit homolog | Homo sapiens (human) | Potency | 100.0000 | 3.9811 | 27.7649 | 39.8107 | AID504842 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 0.3548 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 25.1189 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 15.8489 | 0.0018 | 15.6638 | 39.8107 | AID894 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 100.0000 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
DNA polymerase beta | Homo sapiens (human) | Potency | 35.4813 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
snurportin-1 | Homo sapiens (human) | Potency | 100.0000 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 75.6863 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
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 | 14.1254 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 17.7828 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 25.1189 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
histone acetyltransferase KAT2A isoform 1 | Homo sapiens (human) | Potency | 28.1838 | 0.2512 | 15.8432 | 39.8107 | AID504327 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 39.8107 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 28.1838 | 1.0000 | 10.4756 | 28.1838 | AID1457 |
[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) |
---|---|---|---|---|---|---|---|
ORF73 | Human gammaherpesvirus 8 | EC50 (µMol) | 75.0000 | 0.0600 | 8.1346 | 32.1400 | AID435023 |
[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 |
---|---|---|---|---|
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. |
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. |
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] |