The compound you're describing, **1-butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamide**, is a complex organic molecule with a specific structure.
**Let's break down its structure:**
* **1-butyl:** This indicates a butyl group (four carbon chain) attached to the first position of the benzimidazole ring.
* **2-[(1,3-dioxo-2-isoindolyl)methylthio]:** This part describes a more complex substituent. It's a phthalimide group (1,3-dioxo-2-isoindolyl) linked to a methylene (CH2) group, which is then connected to the second position of the benzimidazole ring through a sulfur atom (thio).
* **5-benzimidazolesulfonamide:** This indicates a sulfonamide group (-SO2NH2) attached to the fifth position of the benzimidazole ring.
**Importance in Research:**
This compound is likely related to the field of **drug discovery and development**. While there's no specific information on its exact research applications without further context, here's why compounds with similar structural features are important:
* **Benzimidazole scaffold:** Benzimidazole is a heterocyclic ring system found in many pharmacologically active compounds. It can be modified with various substituents to create drugs with diverse biological activities.
* **Sulfonamide moiety:** Sulfonamides are known for their ability to inhibit enzyme activity. They are used in various drug classes, including diuretics, antibacterials, and anticancer agents.
* **Phthalimide group:** Phthalimides can act as protecting groups in organic synthesis, and they are also found in some drugs.
**Possible Research Applications:**
Based on its structure, this compound could be investigated for its potential activities in areas such as:
* **Anti-infective agents:** Targeting bacterial or fungal infections.
* **Anti-cancer agents:** Inhibiting the growth of cancer cells.
* **Anti-inflammatory agents:** Reducing inflammation.
* **Other therapeutic applications:** Depending on the compound's specific properties and biological interactions.
**Note:** It's crucial to emphasize that this is a speculative analysis. To understand the precise research significance of this specific compound, more information is required about its synthesis, biological activity, and targeted applications.
ID Source | ID |
---|---|
PubMed CID | 2998855 |
CHEMBL ID | 1508973 |
CHEBI ID | 121776 |
Synonym |
---|
smr000066492 |
MLS000054315 , |
CHEBI:121776 |
MLS002635211 |
HMS1722K13 |
1-butyl-2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide |
AKOS007953463 |
HMS2173F15 |
CHEMBL1508973 |
1-butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamide |
Q27210345 |
Z19162155 |
Class | Description |
---|---|
phthalimides | A dicarboximide that is phthalimide or derivatives obtained from it by the formal replacement of one or more hydrogens. |
[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, Beta-lactamase | Escherichia coli K-12 | Potency | 0.3162 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
Chain A, HADH2 protein | Homo sapiens (human) | Potency | 25.1189 | 0.0251 | 20.2376 | 39.8107 | AID886 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 25.1189 | 0.0251 | 20.2376 | 39.8107 | AID886 |
Smad3 | Homo sapiens (human) | Potency | 14.1254 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 28.1838 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 39.8107 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
pyruvate kinase PKM isoform a | Homo sapiens (human) | Potency | 15.8489 | 0.0401 | 7.4590 | 31.6228 | AID1631; AID1634 |
ubiquitin carboxyl-terminal hydrolase 2 isoform a | Homo sapiens (human) | Potency | 10.0000 | 0.6561 | 9.4520 | 25.1189 | AID927 |
geminin | Homo sapiens (human) | Potency | 3.2643 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 6.3096 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
Disintegrin and metalloproteinase domain-containing protein 17 | Homo sapiens (human) | Potency | 10.0000 | 1.5849 | 13.0043 | 25.1189 | AID927 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21 | Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. |
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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 (14.29) | 29.6817 |
2010's | 5 (71.43) | 24.3611 |
2020's | 1 (14.29) | 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 (12.20) 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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |