Cas no 4166-68-1 (1-methylimidazole-d3 (ring-d3))
1-methylimidazole-d3 (ring-d3) Chemical and Physical Properties
Names and Identifiers
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- 1-methylimidazole-d3 (ring-d3)
- 1H-Imidazole-4-sulfonamide,1-methyl-
- 1-methyl-1H-imidazo-4-ylsulfonamide
- 1-methyl-1H-imidazole-4-sulfonamide
- 1-methyl-1H-imidazole-4-sulfonic acid amide
- 1-methyl-1h-imidazole-4-sulphonamide
- 1-methylimidazole-2,4,5-d3
- 1-methylimidazole-5-carboxamide
- 1-Methylimidazole-d3
- 2,4,5-trideuterio-1-methyl-1H-imidazole
- 2,4,5-Trideutero-1-methylimidazol
- 3-m
- 5-Carbamoyl-1-methyl-imidazol
- AC1MC6GJ
- ACMC-20dtvv
- MixCom1_000094
- SureCN50543
- D99139
- HY-59137S2
- 1-Methylimidazole-d3-1
- 1-Methylimidazole-d3(ring-d3)
- DTXSID101305638
- A935690
- 2,4,5-trideuterio-1-methyl-imidazole
- CS-0566640
- 4166-68-1
- 2,4,5-trideuterio-1-methylimidazole
- 1-Methyl-1H-imidazole-2,4,5-d3
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- Inchi: 1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/i2D,3D,4D
- InChI Key: MCTWTZJPVLRJOU-NRUYWUNFSA-N
- SMILES: N1(C([2H])=NC([2H])=C1[2H])C
Computed Properties
- Exact Mass: 85.071928438g/mol
- Monoisotopic Mass: 85.071928438g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 44.8
- 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: -0.1
- Topological Polar Surface Area: 17.8?2
1-methylimidazole-d3 (ring-d3) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M312981-5mg |
1-Methylimidazole-d3 (ring-d3) |
4166-68-1 | 5mg |
$ 65.00 | 2023-09-07 | ||
| TRC | M312981-10mg |
1-Methylimidazole-d3 (ring-d3) |
4166-68-1 | 10mg |
$ 87.00 | 2023-09-07 | ||
| TRC | M312981-50mg |
1-Methylimidazole-d3 (ring-d3) |
4166-68-1 | 50mg |
$ 218.00 | 2023-09-07 | ||
| A2B Chem LLC | AF66812-250mg |
1-METHYLIMIDAZOLE-D3 (RING-D3) |
4166-68-1 | 250mg |
$592.00 | 2024-04-20 | ||
| A2B Chem LLC | AF66812-500mg |
1-METHYLIMIDAZOLE-D3 (RING-D3) |
4166-68-1 | 500mg |
$874.00 | 2024-04-20 |
1-methylimidazole-d3 (ring-d3) Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
Additional information on 1-methylimidazole-d3 (ring-d3)
Introduction to 1-methylimidazole-d3 (ring-d3) and Its Significance in Modern Chemical Research
The compound with the CAS number 4166-68-1 is a deuterated derivative of 1-methylimidazole, specifically denoted as 1-methylimidazole-d3 (ring-d3). This isotope-labeled compound has garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique properties and applications. The introduction of deuterium atoms into the molecular structure not only enhances the stability of the compound but also provides a means for studying metabolic pathways and drug interactions with greater precision.
1-methylimidazole-d3 (ring-d3) is particularly valuable in nuclear magnetic resonance (NMR) spectroscopy, where the presence of deuterium atoms serves as an internal standard, improving the resolution and sensitivity of spectral analysis. This makes it an indispensable tool for researchers investigating complex molecular systems, including drug candidates and bioactive molecules. The compound's ability to mimic its non-deuterated counterpart while offering enhanced analytical capabilities has positioned it as a cornerstone in structural elucidation and dynamic studies.
In recent years, advancements in mass spectrometry and NMR techniques have further highlighted the importance of isotope-labeled compounds like 1-methylimidazole-d3 (ring-d3). These techniques allow for detailed structural analysis and kinetic studies, which are crucial for understanding the mechanisms of biological processes. For instance, researchers have utilized this compound to study the metabolism of imidazole-based drugs, providing insights into their degradation pathways and potential side effects. Such studies are pivotal in the development of safer and more effective pharmaceuticals.
The pharmaceutical industry has also embraced 1-methylimidazole-d3 (ring-d3) for its role in drug discovery and development. By incorporating deuterium atoms into drug molecules, researchers can modulate their pharmacokinetic properties, leading to improved bioavailability and reduced toxicity. This approach, known as deuterium labeling, has been successfully applied to various therapeutic agents, including antiviral and anticancer drugs. The use of 1-methylimidazole-d3 (ring-d3) as a building block or intermediate in these processes underscores its versatility and utility.
Moreover, the chemical synthesis of 1-methylimidazole-d3 (ring-d3) has seen significant advancements, enabling researchers to produce high-purity samples with greater efficiency. Modern synthetic methodologies have minimized impurities and improved yields, making this compound more accessible for a wide range of applications. These improvements are particularly important for large-scale studies, where consistency and reliability are paramount.
Recent research has also explored the use of 1-methylimidazole-d3 (ring-d3) in chemical biology assays, where it serves as a probe for understanding enzyme function and substrate interactions. For example, studies have demonstrated its utility in investigating the activity of imidazole-dependent enzymes, which play critical roles in various metabolic pathways. By using this labeled compound, scientists can gain unprecedented insights into these enzymatic processes, potentially leading to new therapeutic targets.
The environmental impact of using isotope-labeled compounds like 1-methylimidazole-d3 (ring-d3) is another area of consideration. Deuterium-labeled compounds are generally more stable and less reactive than their non-deuterated counterparts, reducing waste generation during experiments. This aligns with broader efforts in green chemistry to minimize environmental footprint while maintaining high standards of research integrity.
In conclusion, 1-methylimidazole-d3 (ring-d3) represents a significant advancement in chemical research, offering unique benefits for analytical chemistry, drug development, and biological studies. Its role as an NMR standard and its applications in metabolic research underscore its importance in modern science. As methodologies continue to evolve, the utility of this compound is expected to grow even further, driving innovation across multiple scientific disciplines.
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