Compounds > 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
Page last updated: 2024-12-11
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
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 Source | ID |
PubMed CID | 9848499 |
CHEMBL ID | 79261 |
SCHEMBL ID | 1082516 |
MeSH ID | M0278520 |
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 |
Bioassays (7)
Assay ID | Title | Year | Journal | Article |
AID4397 | Compound was tested for its potency against 5-hydroxytryptamine 1A receptor in rat frontal cortex membranes (experiment 2) | 1998 | Bioorganic & 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. |
AID3532 | Antagonistic efficacy as adenylyl cyclase assay in CHO cells expressing human 5-HT1A receptor (experiment 2) | 1998 | Bioorganic & 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. |
AID3525 | Agonistic efficacy as adenylyl cyclase assay in CHO cells expressing human 5-HT1A receptor (experiment 1) | 1998 | Bioorganic & 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. |
AID4417 | Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes | 1998 | Bioorganic & 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. |
AID4395 | Compound was tested for its potency against 5-hydroxytryptamine 1A receptor in rat frontal cortex membranes (experiment 1) | 1998 | Bioorganic & 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. |
AID3530 | Antagonistic efficacy as adenylyl cyclase assay in CHO cells expressing human 5-HT1A receptor (experiment 1) | 1998 | Bioorganic & 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. |
AID3527 | Agonistic efficacy in adenylyl cyclase assay in CHO cells expressing human 5-HT1A receptor (experiment 2) | 1998 | Bioorganic & 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)
Timeframe | Studies, This Drug (%) | All Drugs % |
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 4 (66.67) | 18.2507 |
2000's | 1 (16.67) | 29.6817 |
2010's | 1 (16.67) | 24.3611 |
2020's | 0 (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.
Metric | This Compound (vs All) |
---|
Research Demand Index | 12.29 (24.57) | Research Supply Index | 2.08 (2.92) | Research Growth Index | 4.37 (4.65) | Search Engine Demand Index | 0.00 (26.88) | Search Engine Supply Index | 0.00 (0.95) |
| |
Study Types
Publication Type | This drug (%) | All Drugs (%) |
Trials | 1 (16.67%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 5 (83.33%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |