Page last updated: 2024-12-10

2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester

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

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.

Cross-References

ID SourceID
PubMed CID4438634
CHEMBL ID1418440
CHEBI ID105443

Synonyms (15)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
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 Targets (19)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, CruzipainTrypanosoma cruziPotency31.62280.002014.677939.8107AID1476
LuciferasePhotinus pyralis (common eastern firefly)Potency26.85450.007215.758889.3584AID588342
ClpPBacillus subtilisPotency19.95261.995322.673039.8107AID651965
chaperonin-containing TCP-1 beta subunit homologHomo sapiens (human)Potency100.00003.981127.764939.8107AID504842
Microtubule-associated protein tauHomo sapiens (human)Potency0.35480.180013.557439.8107AID1460
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency25.11890.011212.4002100.0000AID1030
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency15.84890.001815.663839.8107AID894
importin subunit beta-1 isoform 1Homo sapiens (human)Potency100.00005.804836.130665.1308AID540263
DNA polymerase betaHomo sapiens (human)Potency35.48130.022421.010289.1251AID485314
snurportin-1Homo sapiens (human)Potency100.00005.804836.130665.1308AID540263
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency75.68630.425612.059128.1838AID504891
DNA polymerase eta isoform 1Homo sapiens (human)Potency19.95260.100028.9256213.3130AID588591
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency14.12540.050127.073689.1251AID588590
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency17.78280.00798.23321,122.0200AID2551
lethal(3)malignant brain tumor-like protein 1 isoform IHomo sapiens (human)Potency25.11890.075215.225339.8107AID485360
histone acetyltransferase KAT2A isoform 1Homo sapiens (human)Potency28.18380.251215.843239.8107AID504327
Guanine nucleotide-binding protein GHomo sapiens (human)Potency39.81071.995325.532750.1187AID624287
Inositol monophosphatase 1Rattus norvegicus (Norway rat)Potency28.18381.000010.475628.1838AID1457
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
ORF73Human gammaherpesvirus 8EC50 (µMol)75.00000.06008.134632.1400AID435023
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (5)

Processvia Protein(s)Taxonomy
negative regulation of inflammatory response to antigenic stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
renal water homeostasisGuanine nucleotide-binding protein GHomo sapiens (human)
G protein-coupled receptor signaling pathwayGuanine nucleotide-binding protein GHomo sapiens (human)
regulation of insulin secretionGuanine nucleotide-binding protein GHomo sapiens (human)
cellular response to glucagon stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Processvia Protein(s)Taxonomy
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (1)

Processvia Protein(s)Taxonomy
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
[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]