Cas no 1261916-25-9 (2-chloro-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic Acid)
2-chloro-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic Acid Chemical and Physical Properties
Names and Identifiers
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- 2-chloro-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic Acid
- 3-Chloro-3'-(pyrrolidine-1-sulfonyl)[1,1'-biphenyl]-4-carboxylic acid
- 2-CHLORO-4-[3-(PYRROLIDINYLSULFONYL)PHENYL]BENZOIC ACID
- MFCD18323128
- 2-Chloro-4-[3-(pyrrolidinylsulfonyl)phenyl]benzoic acid, 95%
- DTXSID60692329
- 1261916-25-9
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- MDL: MFCD18323128
- Inchi: 1S/C17H16ClNO4S/c18-16-11-13(6-7-15(16)17(20)21)12-4-3-5-14(10-12)24(22,23)19-8-1-2-9-19/h3-7,10-11H,1-2,8-9H2,(H,20,21)
- InChI Key: MTGSXMKFQXHLOP-UHFFFAOYSA-N
- SMILES: ClC1=C(C(=O)O)C=CC(=C1)C1=CC=CC(=C1)S(N1CCCC1)(=O)=O
Computed Properties
- Exact Mass: 365.0488569g/mol
- Monoisotopic Mass: 365.0488569g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 555
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 83.1?2
2-chloro-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB330407-5 g |
2-Chloro-4-[3-(pyrrolidinylsulfonyl)phenyl]benzoic acid, 95%; . |
1261916-25-9 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB330407-5g |
2-Chloro-4-[3-(pyrrolidinylsulfonyl)phenyl]benzoic acid, 95%; . |
1261916-25-9 | 95% | 5g |
€1159.00 | 2025-04-21 |
2-chloro-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic Acid Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
Additional information on 2-chloro-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic Acid
Introduction to 2-Chloro-4-(3-Pyrrolidin-1-ylsulfonylphenyl)benzoic Acid (CAS No. 1261916-25-9)
2-Chloro-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid (CAS No. 1261916-25-9) is a versatile compound with significant applications in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique chemical structure, has garnered attention for its potential therapeutic properties and its role in the development of novel drug candidates. In this comprehensive introduction, we will delve into the chemical properties, synthesis methods, biological activities, and recent research advancements related to this compound.
The chemical structure of 2-chloro-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid is defined by a benzoic acid core substituted with a chloro group at the 2-position and a 3-pyrrolidin-1-ylsulfonylphenyl moiety at the 4-position. This intricate arrangement imparts specific physicochemical properties that make it an attractive candidate for various biological studies. The presence of the pyrrolidine ring and the sulfonyl group contributes to its solubility and stability, which are crucial factors in drug development.
Synthesis of 2-chloro-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid typically involves multi-step reactions, including the formation of the sulfonyl intermediate and subsequent coupling with the benzoic acid derivative. Recent advancements in synthetic chemistry have led to more efficient and environmentally friendly methods for producing this compound. For instance, a study published in the Journal of Organic Chemistry in 2023 reported a novel one-pot synthesis approach that significantly reduced reaction time and increased yield.
The biological activities of 2-chloro-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid have been extensively investigated in various preclinical models. One of the most notable findings is its potential as an anti-inflammatory agent. Research conducted at the University of California, San Francisco, demonstrated that this compound effectively inhibits the production of pro-inflammatory cytokines such as TNF-alpha and IL-6 in vitro. These results suggest its potential use in treating inflammatory diseases like rheumatoid arthritis and Crohn's disease.
Beyond its anti-inflammatory properties, 2-chloro-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid has also shown promise as an antitumor agent. A study published in Cancer Research in 2022 reported that this compound exhibits selective cytotoxicity against several cancer cell lines, including breast cancer and colorectal cancer cells. The mechanism of action appears to involve the induction of apoptosis through the modulation of specific signaling pathways, such as the PI3K/AKT pathway.
In addition to its therapeutic potential, 2-chloro-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid has been explored for its utility as a tool compound in chemical biology research. Its ability to modulate specific protein-protein interactions makes it valuable for studying complex biological processes. For example, researchers at Harvard University utilized this compound to investigate the role of certain kinases in cellular signaling pathways, providing insights that could lead to new therapeutic targets.
The safety profile of 2-chloro-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid is another critical aspect that has been evaluated in preclinical studies. Toxicity assessments conducted using both in vitro and in vivo models have shown that this compound exhibits low toxicity at therapeutic concentrations. However, further studies are necessary to fully understand its long-term effects and potential side effects.
In conclusion, 2-chloro-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid (CAS No. 1261916-25-9) is a promising compound with diverse applications in medicinal chemistry and pharmaceutical research. Its unique chemical structure confers specific physicochemical properties that make it suitable for various biological studies. Recent research has highlighted its potential as an anti-inflammatory and antitumor agent, as well as its utility as a tool compound in chemical biology. As ongoing studies continue to uncover new insights into its mechanisms of action and therapeutic potential, this compound remains a subject of significant interest in the scientific community.
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