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1,2-benzisothiazol-3(2h)-one, 2-(4-(4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl)butyl)-, 1,1-dioxide

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

Description

The compound you described, **1,2-benzisothiazol-3(2H)-one, 2-(4-(4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl)butyl)-, 1,1-dioxide**, is a complex organic molecule with a long and descriptive chemical name. Let's break down its structure and potential significance in research:

**Understanding the Structure:**

* **1,2-benzisothiazol-3(2H)-one:** This part refers to a basic ring structure containing a benzene ring (benz-) fused to an isothiazole ring (-isothiazol-). The '3(2H)-one' specifies a ketone functional group (C=O) at the 3rd position of the ring, with the possibility of tautomerization, hence the '(2H)' notation.
* **2-(4-(4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl)butyl)-:** This is a long chain attached to the isothiazole ring at position 2. It contains:
* **Piperazine:** A 6-membered ring containing nitrogen atoms.
* **1,4-benzodioxin:** A bicyclic ring system containing a benzene ring fused to a dioxin ring.
* **7-chloro:** A chlorine atom attached to the 7th position of the benzodioxin ring.
* **1,1-dioxide:** This indicates that the sulfur atom in the isothiazole ring is oxidized to a sulfone (-SO2-) group.

**Potential Research Importance:**

Given its complex structure and the presence of several pharmacologically relevant functional groups, this molecule is likely being investigated for its potential biological activity. Here's why:

* **Potential for Anti-Inflammatory Activity:** The 1,4-benzodioxin moiety is found in many anti-inflammatory agents. The piperazine ring is also common in antihistamines and anti-inflammatory drugs.
* **Possible Antagonism of Specific Receptors:** The combination of the 1,2-benzisothiazol-3(2H)-one core and the long side chain could lead to selective binding to particular receptors, potentially having effects on the nervous system or other physiological processes.
* **Potential for Drug Development:** This molecule could be a starting point for designing new drugs with improved therapeutic profiles compared to existing medications.

**Important Considerations:**

* **Lack of Public Information:** The specific compound you named is not widely documented in publicly available databases. It's possible this compound is under development in a research lab and its properties and applications are not yet published.
* **Further Research Needed:** To determine the specific biological activity and potential applications of this compound, detailed laboratory studies are required. This includes testing its effects on cells, animal models, and ultimately, human subjects (if it proves safe and effective).

**To gain more insight into this molecule, you can:**

* **Search for publications:** Use specific chemical names or structural fragments in scientific databases like PubMed or Google Scholar.
* **Contact research labs:** If you know of any labs working on this compound or in related fields, you can reach out to them for information.

Remember, accessing detailed research information requires access to scientific databases and journals.

1,2-benzisothiazol-3(2H)-one, 2-(4-(4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl)butyl)-, 1,1-dioxide: 5-HT(1A) receptor antagonist; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID9848499
CHEMBL ID79261
SCHEMBL ID1082516
MeSH IDM0278520

Synonyms (23)

Synonym
CHEMBL79261 ,
du125530
du-125530
du 125530
PDSP1_000932
PDSP2_000918
L001571
161611-99-0
2-(4-(4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl)butyl)-1,2-benzisothiazol-3(2h)-one-1,1-dioxide
1,2-benzisothiazol-3(2h)-one, 2-(4-(4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl)butyl)-, 1,1-dioxide
zb05v621ud ,
unii-zb05v621ud
bdbm85079
2-[4-[4-[(7-chloro-2,3-dihydro-1,4-benzodioxin)-5-yl]-1-piperazinyl]butyl]-1,2-benzisothiazol-3(2h)-one 1,1-dioxide
SCHEMBL1082516
2-[4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]butyl]-1,2-benzisothiazol-3(2h)-one-1,1-dioxide
DTXSID00167208
2-[4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]-butyl]-1,2-benzisothiazol-3(2h)-one-1,1-dioxide
2-[4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
Q27295246
CS-0015023
HY-19283
AKOS040748283
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (7)

Assay IDTitleYearJournalArticle
AID4397Compound was tested for its potency against 5-hydroxytryptamine 1A receptor in rat frontal cortex membranes (experiment 2)1998Bioorganic & medicinal chemistry letters, Sep-22, Volume: 8, Issue:18
Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships.
AID3532Antagonistic efficacy as adenylyl cyclase assay in CHO cells expressing human 5-HT1A receptor (experiment 2)1998Bioorganic & medicinal chemistry letters, Sep-22, Volume: 8, Issue:18
Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships.
AID3525Agonistic efficacy as adenylyl cyclase assay in CHO cells expressing human 5-HT1A receptor (experiment 1)1998Bioorganic & medicinal chemistry letters, Sep-22, Volume: 8, Issue:18
Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships.
AID4417Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes1998Bioorganic & medicinal chemistry letters, Sep-22, Volume: 8, Issue:18
Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships.
AID4395Compound was tested for its potency against 5-hydroxytryptamine 1A receptor in rat frontal cortex membranes (experiment 1)1998Bioorganic & medicinal chemistry letters, Sep-22, Volume: 8, Issue:18
Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships.
AID3530Antagonistic efficacy as adenylyl cyclase assay in CHO cells expressing human 5-HT1A receptor (experiment 1)1998Bioorganic & medicinal chemistry letters, Sep-22, Volume: 8, Issue:18
Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships.
AID3527Agonistic efficacy in adenylyl cyclase assay in CHO cells expressing human 5-HT1A receptor (experiment 2)1998Bioorganic & medicinal chemistry letters, Sep-22, Volume: 8, Issue:18
Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's4 (66.67)18.2507
2000's1 (16.67)29.6817
2010's1 (16.67)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.29

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 Index12.29 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.37 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.29)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials1 (16.67%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (83.33%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]