Cas no 72692-96-7 (2,4-Dimethylnicotinamide)
2,4-Dimethylnicotinamide Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Dimethylnicotinamide
- Nicotinamide,2,4-dimethyl- (6CI)
- 2,4-dimethylpyridine-3-carboxamide
- 3-Pyridinecarboxamide,2,4-dimethyl-
- SCHEMBL161321
- Z1216840307
- 72692-96-7
- DTXSID70619981
- SB54415
- 3-Pyridinecarboxamide,2,4-dimethyl-(9CI)
-
- Inchi: 1S/C8H10N2O/c1-5-3-4-10-6(2)7(5)8(9)11/h3-4H,1-2H3,(H2,9,11)
- InChI Key: ZZPWTSAVADAPAE-UHFFFAOYSA-N
- SMILES: O=C(C1C(C)=NC=CC=1C)N
Computed Properties
- Exact Mass: 150.0794
- Monoisotopic Mass: 150.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 158
- 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: 0.5
- Topological Polar Surface Area: 56?2
Experimental Properties
- PSA: 55.98
2,4-Dimethylnicotinamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029206738-1g |
2,4-Dimethylnicotinamide |
72692-96-7 | 95% | 1g |
$395.52 | 2023-09-01 | |
| Chemenu | CM177137-1g |
2,4-dimethylnicotinamide |
72692-96-7 | 95% | 1g |
$445 | 2021-08-05 | |
| Chemenu | CM177137-1g |
2,4-dimethylnicotinamide |
72692-96-7 | 95% | 1g |
$445 | 2022-06-10 | |
| Crysdot LLC | CD11066381-1g |
2,4-Dimethylnicotinamide |
72692-96-7 | 95+% | 1g |
$470 | 2024-07-18 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1741496-1g |
2,4-Dimethylnicotinamide |
72692-96-7 | 98% | 1g |
¥3645.00 | 2024-05-02 |
2,4-Dimethylnicotinamide Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
Additional information on 2,4-Dimethylnicotinamide
Introduction to 2,4-Dimethylnicotinamide (CAS No: 72692-96-7) in Modern Chemical and Pharmaceutical Research
2,4-Dimethylnicotinamide, identified by the Chemical Abstracts Service Number (CAS No) 72692-96-7, is a significant compound in the realm of chemical and pharmaceutical research. This compound, belonging to the nicotinamide family, has garnered attention due to its unique structural properties and potential applications in various biochemical pathways. The presence of two methyl groups at the 2nd and 4th positions relative to the pyridine ring imparts distinct reactivity and functionality, making it a subject of intense study in medicinal chemistry.
The chemical structure of 2,4-Dimethylnicotinamide consists of a pyridine core substituted with amide and methyl groups. This configuration not only influences its solubility and stability but also plays a crucial role in its interaction with biological targets. The amide group is particularly noteworthy, as it is commonly involved in the formation of hydrogen bonds, a key factor in drug-receptor binding. The methyl groups, on the other hand, can modulate the electronic properties of the molecule, affecting its metabolic pathways and biological activity.
In recent years, 2,4-Dimethylnicotinamide has been explored for its potential therapeutic applications. One of the most promising areas of research is its role in modulating metabolic pathways. Studies have indicated that this compound may influence key enzymes involved in energy metabolism, such as mitochondrial respiratory chain complexes. The ability to modulate these pathways could have implications in the treatment of metabolic disorders, including obesity and type 2 diabetes.
Furthermore, 2,4-Dimethylnicotinamide has shown promise in preclinical studies as a potential chemopreventive agent. Research suggests that it may interfere with signaling pathways associated with cancer cell proliferation and survival. Specifically, it has been observed to inhibit the activity of certain kinases that are overexpressed in various cancer types. These findings have opened up new avenues for developing novel anticancer therapies that target specific molecular pathways.
The pharmacokinetic profile of 2,4-Dimethylnicotinamide is another area of active investigation. Understanding how this compound is absorbed, distributed, metabolized, and excreted (ADME) is crucial for optimizing its therapeutic efficacy and minimizing potential side effects. Preliminary studies have indicated that 2,4-Dimethylnicotinamide exhibits moderate oral bioavailability and undergoes biotransformation primarily via cytochrome P450 enzymes. This information is vital for designing clinical trials and determining appropriate dosing regimens.
Recent advances in computational chemistry have also contributed to the study of 2,4-Dimethylnicotinamide. Molecular modeling techniques have allowed researchers to predict how this compound interacts with biological targets at an atomic level. These simulations have helped identify key binding sites and residues critical for its biological activity. Such insights are invaluable for designing derivatives with enhanced potency and selectivity.
The synthesis of 2,4-Dimethylnicotinamide has been optimized through various chemical methodologies. Traditional approaches involve multi-step reactions starting from nicotinic acid or its derivatives. However, newer synthetic routes have focused on greener chemistry principles, utilizing catalytic methods and renewable feedstocks to improve yield and reduce environmental impact. These advancements align with global efforts to promote sustainable pharmaceutical manufacturing.
In conclusion,2,4-Dimethylnicotinamide (CAS No: 72692-96-7) represents a fascinating compound with diverse applications in chemical and pharmaceutical research. Its unique structural features make it a valuable tool for studying metabolic pathways, cancer biology, and drug development. As research continues to uncover new therapeutic potentials,2,4-Dimethylnicotinamide is poised to play a significant role in future medical innovations.
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