Cas no 31699-61-3 (3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT)
3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT Chemical and Physical Properties
Names and Identifiers
-
- 3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT
- 1H-indol-3-yl hydrogen phosphate,(4-methylphenyl)azanium
- I-6300
- AKOS030253232
- 1H-indol-3-yl hydrogen phosphate;(4-methylphenyl)azanium
- 4-Methylanilinium 1H-indol-3-yl hydrogen phosphate
- 3-Indoxyl phosphate p-toluidine salt
- DTXSID50647383
- 31699-61-3
-
- Inchi: 1S/C8H8NO4P.C7H9N/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;1-6-2-4-7(8)5-3-6/h1-5,9H,(H2,10,11,12);2-5H,8H2,1H3
- InChI Key: DVFSEXUMYANGAN-UHFFFAOYSA-N
- SMILES: P(=O)([O-])(O)OC1=CNC2C=CC=CC=21.[NH3+]C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 320.09300
- Monoisotopic Mass: 320.09259403g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 314
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 113?2
Experimental Properties
- PSA: 118.38000
- LogP: 3.79780
3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHENG KE LU SI SHENG WU JI SHU | sc-281357-250 mg |
3-Indoxyl phosphate p-toluidine salt, |
31699-61-3 | 250MG |
¥1,218.00 | 2023-07-11 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-281357A-500 mg |
3-Indoxyl phosphate p-toluidine salt, |
31699-61-3 | 500MG |
¥1,918.00 | 2023-07-11 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-281357-250mg |
3-Indoxyl phosphate p-toluidine salt, |
31699-61-3 | 250mg |
¥1218.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-281357A-500mg |
3-Indoxyl phosphate p-toluidine salt, |
31699-61-3 | 500mg |
¥1918.00 | 2023-09-05 |
3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
Additional information on 3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT
Introduction to 3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT (CAS No. 31699-61-3) and Its Emerging Applications in Chemical Biology
3-Indoxyl phosphate, p-toluidine salt, identified by the chemical compound identifier CAS No. 31699-61-3, represents a specialized phosphorus-containing derivative that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique structural motif—a phosphate group linked to an indoxyl ring system modified with a para-toluidine moiety—exhibits distinct chemical and biological properties that make it a valuable tool in synthetic chemistry and drug discovery initiatives.
The indoxyl scaffold, a heterocyclic aromatic unit, is well-documented for its role in various biological processes, including enzyme inhibition and signal transduction pathways. When functionalized with a phosphate group and paired with p-toluidine—a derivative of aniline—the resulting compound (3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT) (CAS No. 31699-61-3) may interact with biological targets in novel ways, potentially opening avenues for therapeutic intervention. The phosphate moiety, in particular, is recognized for its ability to modulate protein-protein interactions and enzyme activities, making this compound a promising candidate for further exploration.
Recent advancements in the field of medicinal chemistry have highlighted the importance of phosphorus-based compounds in developing small-molecule modulators. Phosphates are frequently incorporated into drug molecules due to their ability to mimic natural biomolecules and interfere with disease-related mechanisms. For instance, studies have demonstrated that phosphate derivatives can serve as inhibitors of kinases and other enzymes involved in cancer progression. The presence of both indoxyl and p-toluidine groups in 3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT (CAS No. 31699-61-3) suggests that it may exhibit dual functionality, capable of engaging multiple biological pathways simultaneously.
In the context of drug discovery, the synthesis of 3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT (CAS No. 31699-61-3) has been optimized to ensure high purity and yield, which are critical for downstream applications such as high-throughput screening (HTS) and structure-activity relationship (SAR) studies. The para-toluidine salt form enhances solubility and stability, facilitating its use in both laboratory-scale experiments and industrial processes. This has been particularly beneficial for researchers aiming to explore its potential as an intermediate in the synthesis of more complex pharmacophores.
One of the most compelling aspects of 3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT (CAS No. 31699-61-3) is its versatility in chemical modifications. The indoxyl ring can be further functionalized through cross-coupling reactions, allowing chemists to introduce additional substituents that may enhance binding affinity or selectivity against specific biological targets. Similarly, the phosphate group provides numerous opportunities for derivatization, enabling the creation of prodrugs or analogs with improved pharmacokinetic profiles.
Current research endeavors are increasingly focusing on leveraging computational methods to predict the biological activity of such compounds before experimental validation. Molecular docking simulations have shown promise in identifying how 3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT (CAS No. 31699-61-3) might interact with proteins such as kinases or transcription factors. These predictions are complemented by experimental assays that assess binding affinities and functional outcomes, providing a comprehensive understanding of its potential therapeutic utility.
The integration of machine learning algorithms into drug discovery pipelines has further accelerated the development process for compounds like 3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT (CAS No. 31699-61-3). By analyzing large datasets of known bioactive molecules, these algorithms can identify patterns that correlate with biological activity, guiding chemists toward more effective modifications. This approach has already led to the identification of novel derivatives with enhanced potency and reduced toxicity.
In conclusion,3-INODXYL PHOSPHATE, P-TOLUIDINE SALT (CAS No. 31 699 - 61 - 33 is a multifaceted compound with significant potential in chemical biology and pharmaceutical research Its unique structural features offer opportunities for diverse applications ranging from enzyme inhibition to drug development The ongoing exploration of this molecule underscores its importance as a building block for future therapeutics Highlighting its role as a bridge between synthetic chemistry and biological function this compound exemplifies the innovative spirit driving advancements in modern medicine
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