Cas no 1261961-00-5 (3-amino-5-(2,3-dimethylphenyl)benzoic Acid)
3-amino-5-(2,3-dimethylphenyl)benzoic Acid Chemical and Physical Properties
Names and Identifiers
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- 3-amino-5-(2,3-dimethylphenyl)benzoic Acid
- MFCD18319267
- 3-Amino-5-(2,3-dimethylphenyl)benzoic acid, 95%
- 1261961-00-5
- 5-Amino-2',3'-dimethyl[1,1'-biphenyl]-3-carboxylic acid
- DTXSID70688930
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- MDL: MFCD18319267
- Inchi: 1S/C15H15NO2/c1-9-4-3-5-14(10(9)2)11-6-12(15(17)18)8-13(16)7-11/h3-8H,16H2,1-2H3,(H,17,18)
- InChI Key: VVJDBISBXKYMCS-UHFFFAOYSA-N
- SMILES: OC(C1=CC(=CC(=C1)C1C=CC=C(C)C=1C)N)=O
Computed Properties
- Exact Mass: 241.110278721g/mol
- Monoisotopic Mass: 241.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 305
- 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: 3.1
- Topological Polar Surface Area: 63.3?2
3-amino-5-(2,3-dimethylphenyl)benzoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB326257-5 g |
3-Amino-5-(2,3-dimethylphenyl)benzoic acid, 95%; . |
1261961-00-5 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB326257-5g |
3-Amino-5-(2,3-dimethylphenyl)benzoic acid, 95%; . |
1261961-00-5 | 95% | 5g |
€1159.00 | 2024-06-08 |
3-amino-5-(2,3-dimethylphenyl)benzoic Acid Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
Additional information on 3-amino-5-(2,3-dimethylphenyl)benzoic Acid
Introduction to 3-amino-5-(2,3-dimethylphenyl)benzoic Acid (CAS No. 1261961-00-5)
3-amino-5-(2,3-dimethylphenyl)benzoic acid is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research due to its unique structural properties and potential biological activities. With the CAS number 1261961-00-5, this compound represents a derivative of benzoic acid, featuring both amino and dimethylphenyl substituents, which contribute to its distinct chemical behavior and reactivity. The molecular structure of 3-amino-5-(2,3-dimethylphenyl)benzoic acid consists of a benzoic acid core substituted at the 3-position with an amino group (-NH?) and at the 5-position with a 2,3-dimethylphenyl group. This arrangement imparts specific electronic and steric properties that make it a valuable candidate for further investigation in medicinal chemistry.
The synthesis of 3-amino-5-(2,3-dimethylphenyl)benzoic acid typically involves multi-step organic reactions, starting from readily available aromatic precursors. The introduction of the amino group at the 3-position and the dimethylphenyl group at the 5-position requires careful selection of reaction conditions to ensure high yield and purity. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions or nucleophilic aromatic substitutions, are often employed to achieve the desired substitutions with minimal side products. The purity of the final product is critical for subsequent biological evaluations, as impurities can significantly affect the compound's activity and safety profile.
In recent years, 3-amino-5-(2,3-dimethylphenyl)benzoic acid has been explored for its potential therapeutic applications. Its structural motif suggests possible interactions with various biological targets, making it a promising candidate for drug discovery. One area of interest is its potential as an intermediate in the synthesis of novel pharmaceuticals targeting inflammatory pathways. Studies have indicated that benzoic acid derivatives can modulate inflammatory responses by inhibiting key enzymes such as cyclooxygenase (COX) or lipoxygenase (LOX). The presence of both an amino group and a dimethylphenyl substituent in 3-amino-5-(2,3-dimethylphenyl)benzoic acid may enhance its ability to interact with these enzymes, potentially leading to more effective anti-inflammatory agents.
Another area where 3-amino-5-(2,3-dimethylphenyl)benzoic acid shows promise is in the development of anticancer agents. Benzoic acid derivatives have been extensively studied for their ability to induce apoptosis in cancer cells by disrupting mitochondrial function or inhibiting key signaling pathways. The unique structure of 3-amino-5-(2,3-dimethylphenyl)benzoic acid may allow it to selectively target cancer cells while minimizing toxicity to healthy cells. Preliminary in vitro studies have suggested that this compound can inhibit the growth of certain cancer cell lines by interfering with critical cellular processes such as proliferation and survival signaling. These findings warrant further investigation into its potential as a lead compound for oncology drug development.
The pharmacokinetic properties of 3-amino-5-(2,3-dimethylphenyl)benzoic acid are also of great interest. Understanding how a compound is absorbed, distributed, metabolized, and excreted (ADME) is crucial for determining its suitability as a drug candidate. The presence of polar functional groups like the amino group can influence solubility and permeability across biological membranes. Additionally, metabolic stability must be assessed to ensure that the compound remains active in vivo without being rapidly degraded by enzymatic processes. Advanced techniques such as high-performance liquid chromatography (HPLC), mass spectrometry (MS), and nuclear magnetic resonance (NMR) spectroscopy are employed to characterize these properties thoroughly.
Recent advancements in computational chemistry have also played a significant role in evaluating the potential of 3-amino-5-(2,3-dimethylphenyl)benzoic acid. Molecular modeling techniques allow researchers to predict how this compound might interact with biological targets at the atomic level. By simulating these interactions computationally, scientists can identify key binding sites and optimize the structure for better efficacy. This approach has accelerated the drug discovery process significantly by reducing the need for extensive experimental screening.
In conclusion,3-amino-5-(2,3-dimethylphenyl)benzoic acid (CAS No. 1261961-00-5) is a structurally interesting compound with significant potential in pharmaceutical research. Its unique combination of functional groups makes it a versatile intermediate for synthesizing novel therapeutic agents targeting various diseases. Ongoing studies continue to explore its biological activities and pharmacokinetic properties, paving the way for new treatments in areas such as inflammation and cancer. As research progresses,this compound will likely play an important role in future drug development efforts, offering hope for innovative solutions to complex medical challenges.
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