Page last updated: 2024-12-09

1,3-benzothiazole-6-carboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester

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

## 1,3-Benzothiazole-6-carboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester:

This long chemical name describes a specific organic molecule. Let's break it down:

**Core Structure:**

* **1,3-benzothiazole:** A heterocyclic ring system containing benzene fused to a thiazole ring.
* **-6-carboxylic acid:** A carboxylic acid functional group (COOH) attached to the 6th position of the benzothiazole ring.

**Ester Group:**

* **[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester:** This describes the ester group attached to the carboxylic acid. It's formed by reacting the carboxylic acid with a specific alcohol. This alcohol is itself a complex molecule with:
* **(3,5-dichloro-4-methyl-2-pyridinyl)amino:** A pyridinyl ring with chlorine substituents at positions 3 and 5, a methyl group at position 4, and an amino group linked to the 2nd position.
* **2-oxoethyl:** A two-carbon chain with a ketone group.

**Overall, this molecule is a complex ester formed by linking a benzothiazole-derived carboxylic acid to a substituted pyridinyl-amino alcohol.**

## Research Importance:

The specific importance of this compound for research depends on the context. It's likely used for:

**1. Drug Discovery:**

* **Potential pharmacological activity:** This complex structure suggests potential interaction with biological targets, which could lead to pharmacological effects.
* **Scaffold for drug development:** The molecule could serve as a starting point to synthesize similar compounds with improved pharmacological properties.
* **Lead optimization:** It might be a lead compound in a drug development project, meaning it shows some desirable biological activity that needs further optimization.

**2. Chemical Synthesis:**

* **Investigating synthetic methodology:** The molecule could be used to explore new or improved methods for synthesizing complex organic molecules.
* **Studying reaction mechanisms:** It could be used as a probe to study reaction mechanisms involving the specific functional groups present in the molecule.

**3. Biological Studies:**

* **Target validation:** The compound could be used to identify and validate the biological targets it interacts with.
* **Mechanism of action:** It could be used to study the mechanism by which the molecule exerts its biological effects.

**Important Note:** Without specific information about the research context, it's impossible to determine the exact reason for the importance of this particular compound. However, based on its structure and potential properties, it's likely to be relevant to drug discovery, chemical synthesis, or biological studies.

Cross-References

ID SourceID
PubMed CID2481957
CHEMBL ID1529213
CHEBI ID115683

Synonyms (10)

Synonym
HMS2586I12
MLS000334397
smr000249155
CHEBI:115683
[2-[(3,5-dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CHEMBL1529213
Q27198032
1,3-benzothiazole-6-carboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester
Z15485656
AKOS033419670
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzothiazoles
[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 (17)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency50.11870.004023.8416100.0000AID485290
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency79.43280.631035.7641100.0000AID504339
Chain A, ATP-DEPENDENT DNA HELICASE Q1Homo sapiens (human)Potency39.81070.125919.1169125.8920AID2549
Chain A, Ferritin light chainEquus caballus (horse)Potency35.48135.623417.292931.6228AID485281
ATAD5 protein, partialHomo sapiens (human)Potency18.35640.004110.890331.5287AID504467
Microtubule-associated protein tauHomo sapiens (human)Potency39.81070.180013.557439.8107AID1460
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency50.11870.707936.904389.1251AID504333
P53Homo sapiens (human)Potency39.81070.07319.685831.6228AID504706
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency28.18380.035520.977089.1251AID504332
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency50.11870.036619.637650.1187AID2100
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency20.59620.00419.984825.9290AID504444
DNA polymerase eta isoform 1Homo sapiens (human)Potency50.11870.100028.9256213.3130AID588591
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency15.84890.050127.073689.1251AID588590
lethal(3)malignant brain tumor-like protein 1 isoform IHomo sapiens (human)Potency22.38720.075215.225339.8107AID485360
survival motor neuron protein isoform dHomo sapiens (human)Potency22.38720.125912.234435.4813AID1458
histone acetyltransferase KAT2A isoform 1Homo sapiens (human)Potency39.81070.251215.843239.8107AID504327
ATP-dependent phosphofructokinaseTrypanosoma brucei brucei TREU927Potency9.83610.060110.745337.9330AID485367; AID504636; AID504637
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
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]