1-(2-nitrophenyl)sulfonylpiperidine, also known as **N-(2-nitrophenyl)sulfonylpiperidine**, is a chemical compound with the molecular formula C11H14N2O4S. It is a white to off-white solid.
**Structure and Properties:**
* **Sulfonylpiperidine core:** The core structure consists of a piperidine ring (a six-membered ring with one nitrogen atom) attached to a sulfonyl group (SO2).
* **Nitrophenyl group:** A nitro group (-NO2) is attached to the phenyl ring.
**Importance in Research:**
1-(2-nitrophenyl)sulfonylpiperidine is a versatile compound with potential applications in various research areas, including:
**1. Organic Synthesis:**
* **Protecting group:** The sulfonyl group can act as a protecting group for amines. This allows chemists to selectively modify other functional groups on a molecule without affecting the amine.
* **Synthetic building block:** The compound can be used as a starting material for the synthesis of other complex molecules.
**2. Medicinal Chemistry:**
* **Pharmacological activity:** The nitrophenyl group can contribute to pharmacological activity, potentially interacting with specific receptors or enzymes.
* **Lead compound:** The compound could serve as a lead compound for the development of new drugs.
**3. Materials Science:**
* **Polymer synthesis:** The sulfonyl group can be used to create polymers with specific properties.
* **Organic electronics:** The molecule's structure may allow it to be incorporated into organic electronic devices.
**4. Chemical Biology:**
* **Probes for biological targets:** The compound could be modified to create probes for studying protein interactions or enzyme activity.
**Research Areas of Interest:**
* **Pharmacology:** Investigating the potential therapeutic effects of 1-(2-nitrophenyl)sulfonylpiperidine or its derivatives.
* **Organic synthesis:** Developing new and efficient methods for synthesizing the compound and its analogs.
* **Materials science:** Exploring the potential of the compound in the development of novel materials with specific properties.
**It's important to note that the specific applications and significance of 1-(2-nitrophenyl)sulfonylpiperidine will depend on the specific research project and the modifications made to the molecule.**
| ID Source | ID |
|---|---|
| PubMed CID | 796971 |
| CHEMBL ID | 1424436 |
| CHEBI ID | 109746 |
| Synonym |
|---|
| 1-(2-nitrophenyl)sulfonylpiperidine |
| OPREA1_264009 |
| 1-(2-nitro-benzenesulfonyl)-piperidine |
| MLS000548358 , |
| smr000171739 |
| OPREA1_320341 |
| CBDIVE_001006 |
| STK029222 |
| 1-[(2-nitrophenyl)sulfonyl]piperidine |
| CHEBI:109746 |
| AKOS000486059 |
| HMS2537L10 |
| 1-((2-nitrophenyl)sulfonyl)piperidine |
| 314283-05-1 |
| 1-(2-nitrophenylsulfonyl)piperidine |
| CHEMBL1424436 |
| cid_796971 |
| bdbm59427 |
| Q27189028 |
| mfcd00514602 |
| DTXSID00355345 |
| Z45498052 |
| CS-0208360 |
| SB43144 |
| BS-28262 |
| Class | Description |
|---|---|
| sulfonamide | An amide of a sulfonic acid RS(=O)2NR'2. |
| [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) |
|---|---|---|---|---|---|---|---|
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 39.8107 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 26.6795 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
| geminin | Homo sapiens (human) | Potency | 5.8048 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| X-linked inhibitor of apoptosis | Homo sapiens (human) | IC50 (µMol) | 100.0000 | 0.3130 | 0.3130 | 0.3130 | AID1018; AID1513 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| 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. |
| 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. |
| 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. |
| 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. |
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| 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. |
| 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 (20.00) | 29.6817 |
| 2010's | 3 (60.00) | 24.3611 |
| 2020's | 1 (20.00) | 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 (12.56) 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 | 5 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||