Cas no 119483-46-4 (L-Alloisoleucine,1,1-dimethylethyl ester, hydrochloride (9CI))
L-Alloisoleucine,1,1-dimethylethyl ester, hydrochloride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- L-Alloisoleucine,1,1-dimethylethyl ester, hydrochloride (9CI)
- H-ILE-OTBU HCL
- H-ile-otbu.hcl
- L-Isoleucine t-butyl ester hydrochloride
- H-Allo-Ile-OtBu.HCl
- isoleucine tert-butyl ester hydrochloride
- AS-14159
- tert-butyl (2S,3S)-2-amino-3-methylpentanoate hydrochloride
- HY-W009734
- A836429
- I0685
- tert-Butyl isoleucinate--hydrogen chloride (1/1)
- MFCD00058015
- IFRYMHOZFAPYPJ-WSZWBAFRSA-N
- H-Ile-Otbu Hydrochloride
- L-Isoleucine t-butyl ester HCl
- L-Isoleucine tert-Butyl Ester Hydrochloride
- 69320-89-4
- J-521649
- H-L-Ile-OtBu Hydrochloride
- L-Isoleucine tertbutyl ester hydrochloride
- A804296
- AKOS015969123
- (L)iso-leucine tert-butyl ester hydrochloride
- L-isoleucine tert.butyl ester hydrochloride
- (L)-iso-leucine tert-butyl ester hydrochloride
- SCHEMBL919003
- L-iso-leucine tert-butyl ester hydrochloride
- (2S,3S)-TERT-BUTYL 2-AMINO-3-METHYLPENTANOATE HCL
- L-Isoleucine, 1,1-dimethylethyl ester, hydrochloride
- EN300-117965
- L-Isoleucine tert-butyl ester HCl
- (2S,3S)-tert-butyl 2-amino-3-methylpentanoate hydrochloride
- 119483-46-4
- tert-Butyl L-isoleucinate hydrochloride
- AKOS015844546
- tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride
- DTXSID00922990
- FD21804
- tert-butyl (2S)-2-amino-3-methyl-pentanoate hydrochloride;L-Isoleucine t-butyl ester HCl
- AM81855
- CS-W010450
- L-Isoleucine t-butyl ester hydrochloride (H-L-Ile-OtBu.HCl)
- J-004137
- CHEMBL1221960
- L-Isoleucine 1,1-Dimethylethyl Ester Hydrochloride;
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- Inchi: 1S/C10H21NO2.ClH/c1-6-7(2)8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H/t7-,8-;/m0./s1
- InChI Key: IFRYMHOZFAPYPJ-WSZWBAFRSA-N
- SMILES: Cl.O(C([C@H]([C@@H](C)CC)N)=O)C(C)(C)C
Computed Properties
- Exact Mass: 223.13406
- Monoisotopic Mass: 223.1339066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 172
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.32
L-Alloisoleucine,1,1-dimethylethyl ester, hydrochloride (9CI) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHENG KE LU SI SHENG WU JI SHU | sc-358266-1 g |
L-Isoleucine t-butyl ester hydrochloride, |
119483-46-4 | 1g |
¥1,128.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-358266-1g |
L-Isoleucine t-butyl ester hydrochloride, |
119483-46-4 | 1g |
¥1128.00 | 2023-09-05 | ||
| Ambeed | A759988-1g |
H-Allo-Ile-OtBu.HCl |
119483-46-4 | 95+% | 1g |
$146.0 | 2024-04-25 |
L-Alloisoleucine,1,1-dimethylethyl ester, hydrochloride (9CI) Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
Additional information on L-Alloisoleucine,1,1-dimethylethyl ester, hydrochloride (9CI)
Introduction to L-Alloisoleucine, 1,1-dimethylethyl ester, hydrochloride (9CI) and its CAS No. 119483-46-4
The compound L-Alloisoleucine, 1,1-dimethylethyl ester, hydrochloride (9CI), identified by the CAS number 119483-46-4, is a derivative of the essential amino acid isoleucine. This compound has garnered significant attention in the field of pharmaceutical chemistry and biochemistry due to its unique structural properties and potential biological activities. The presence of a chiral center and the modification with a 1,1-dimethylethyl ester group, along with its hydrochloride salt form, endows it with distinct chemical and pharmacological characteristics that make it a valuable candidate for further research and development.
In recent years, the study of amino acid derivatives has expanded considerably, particularly in the context of drug design and synthesis. L-Alloisoleucine, 1,1-dimethylethyl ester, hydrochloride (9CI) stands out as a compound with potential applications in the development of novel therapeutic agents. Its structural motif suggests that it may interact with biological targets in ways that are different from its parent molecule, isoleucine. This has led to investigations into its role as a building block for more complex molecules or as an intermediate in synthetic pathways.
The hydrochloride salt form of this compound enhances its solubility in aqueous solutions, which is a critical factor for many pharmaceutical applications. Solubility plays a pivotal role in drug formulation and bioavailability, making compounds like L-Alloisoleucine, 1,1-dimethylethyl ester, hydrochloride (9CI) particularly attractive for oral or injectable formulations. The enhanced solubility also facilitates its use in high-throughput screening assays and other biochemical studies where rapid dissolution is essential.
Recent advancements in computational chemistry have enabled researchers to predict the binding affinities and interactions of such compounds with biological targets more accurately. Molecular docking studies have been conducted on L-Alloisoleucine, 1,1-dimethylethyl ester, hydrochloride (9CI) to explore its potential as an inhibitor or modulator of various enzymes and receptors. These studies have revealed promising interactions that could be exploited for therapeutic purposes. For instance, its ability to bind to specific pockets on enzymes may make it a candidate for developing kinase inhibitors or other targeted therapies.
The chiral nature of L-Alloisoleucine, 1,1-dimethylethyl ester, hydrochloride (9CI) also opens up avenues for studying enantioselective synthesis and pharmacology. Chiral drugs often exhibit different pharmacological profiles depending on their enantiomeric form. Understanding these differences is crucial for developing drugs that are both effective and safe. The synthesis of enantiomerically pure forms of this compound has been optimized using asymmetric catalysis techniques, which are at the forefront of modern synthetic chemistry.
In addition to its pharmaceutical applications, L-Alloisoleucine, 1,1-dimethylethyl ester, hydrochloride (9CI) has potential uses in the field of materials science. Its unique structure makes it a candidate for designing novel polymers or functional materials with specific properties. For example, it could be incorporated into biodegradable polymers used in drug delivery systems or as a component in smart materials that respond to environmental stimuli.
The compound's stability under various conditions has also been studied extensively. Researchers have investigated its behavior under different pH levels, temperatures, and solvent systems to understand how these factors affect its chemical properties. This information is crucial for determining the optimal conditions for its use in synthetic reactions or biological assays.
One of the most exciting areas of research involving L-Alloisoleucine, 1,1-dimethylethyl ester, hydrochloride (9CI) is its potential role in peptide mimetics. Peptides are short chains of amino acids that play numerous roles in biological processes. However, their use as therapeutics is often limited by issues such as poor stability and rapid degradation in vivo. Peptide mimetics are designed to mimic the bioactivity of peptides but with improved pharmacokinetic properties. The structural features of L-Alloisoleucine, 1,1-dimethylethyl ester, hydrochloride (9CI) make it an excellent candidate for developing such mimetics.
Recent publications have highlighted the use of this compound in designing novel protease inhibitors. Proteases are enzymes that play critical roles in various physiological processes and are often targeted by therapeutic agents. By incorporating L-Alloisoleucine-based structures into protease inhibitors, researchers aim to develop more potent and selective drugs that can modulate these enzymes effectively.
The development of new synthetic methodologies has also been a focus area for researchers working with L-Alloisoleucine derivatives like L-Alloisoleucine, 1,1-dimethylethyl ester, hydrochloride (9CI). Advances in green chemistry have led to the exploration of sustainable synthetic routes that minimize waste and reduce environmental impact. These methods not only make the production process more efficient but also align with global efforts to promote sustainable practices in chemistry.
In conclusion, L-Alloisoleucine, 1,1-dimethylethyl ester, hydrochloride (9CI) identified by CAS number 119483-46-4, is a multifaceted compound with significant potential across multiple fields including pharmaceuticals、materials science,and biotechnology。 Its unique structural features, combined with recent advancements in synthetic chemistry, make it an exciting subject for further research。 As our understanding of its properties continues to grow, so too will its applications, contributing to advancements in medicine, materials science,and beyond.
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