Cas no 627910-24-1 (2-amino-4,6,6-trimethylheptanoic acid)
2-amino-4,6,6-trimethylheptanoic acid Chemical and Physical Properties
Names and Identifiers
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- 2-AMINO-4,6,6-TRIMETHYL-HEPTANOIC ACID
- 2-Amino-4,6,6-trimethylheptanoic acid
- 2(RS)-amino-4(RS)-6,6-trimethylheptanoic acid
- 2-(RS)-amino-4-(RS)-6,6-trimethylheptanoic acid
- 2-Amino-4,6,6-trimethyl-heptansaeure
- AG-G-31267
- CTK5B6049
- EN300-1299789
- DTXSID40458304
- SCHEMBL3623646
- AKOS006286174
- 627910-24-1
- 2-amino-4,6,6-trimethylheptanoic acid
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- MDL: MFCD07786843
- Inchi: 1S/C10H21NO2/c1-7(6-10(2,3)4)5-8(11)9(12)13/h7-8H,5-6,11H2,1-4H3,(H,12,13)
- InChI Key: CVFWEQVXYXEIIL-UHFFFAOYSA-N
- SMILES: OC(C(CC(C)CC(C)(C)C)N)=O
Computed Properties
- Exact Mass: 187.15733
- Monoisotopic Mass: 187.157228913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.32
2-amino-4,6,6-trimethylheptanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1299789-1.0g |
2-amino-4,6,6-trimethylheptanoic acid |
627910-24-1 | 1g |
$0.0 | 2023-06-06 | ||
| Enamine | EN300-1299789-50mg |
2-amino-4,6,6-trimethylheptanoic acid |
627910-24-1 | 50mg |
$407.0 | 2023-09-30 | ||
| Enamine | EN300-1299789-100mg |
2-amino-4,6,6-trimethylheptanoic acid |
627910-24-1 | 100mg |
$427.0 | 2023-09-30 | ||
| Enamine | EN300-1299789-250mg |
2-amino-4,6,6-trimethylheptanoic acid |
627910-24-1 | 250mg |
$447.0 | 2023-09-30 | ||
| Enamine | EN300-1299789-500mg |
2-amino-4,6,6-trimethylheptanoic acid |
627910-24-1 | 500mg |
$465.0 | 2023-09-30 | ||
| Enamine | EN300-1299789-1000mg |
2-amino-4,6,6-trimethylheptanoic acid |
627910-24-1 | 1000mg |
$485.0 | 2023-09-30 | ||
| Enamine | EN300-1299789-2500mg |
2-amino-4,6,6-trimethylheptanoic acid |
627910-24-1 | 2500mg |
$949.0 | 2023-09-30 | ||
| Enamine | EN300-1299789-5000mg |
2-amino-4,6,6-trimethylheptanoic acid |
627910-24-1 | 5000mg |
$1406.0 | 2023-09-30 | ||
| Enamine | EN300-1299789-10000mg |
2-amino-4,6,6-trimethylheptanoic acid |
627910-24-1 | 10000mg |
$2085.0 | 2023-09-30 |
2-amino-4,6,6-trimethylheptanoic acid Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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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
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
Additional information on 2-amino-4,6,6-trimethylheptanoic acid
Professional Introduction to 2-amino-4,6,6-trimethylheptanoic acid (CAS No. 627910-24-1)
2-amino-4,6,6-trimethylheptanoic acid, identified by its Chemical Abstracts Service (CAS) number 627910-24-1, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and bioorganic synthesis. This compound belongs to the class of amino acids, but with a unique structural framework characterized by a branched alkyl side chain and multiple methyl groups, which contribute to its distinct chemical properties and potential biological activities.
The molecular structure of 2-amino-4,6,6-trimethylheptanoic acid consists of a seven-carbon backbone with an amino group (-NH?) at the second carbon position and methyl groups at the fourth, sixth, and seventh carbon positions. This specific arrangement imparts a high degree of steric hindrance and electronic distribution that influences its reactivity and interactions with biological targets. The presence of the amino group makes it a versatile building block for peptidomimetics and protease inhibitors, which are critical in modern drug discovery.
In recent years, there has been growing interest in the development of novel amino acid derivatives as pharmacological agents. 2-amino-4,6,6-trimethylheptanoic acid has been explored as a precursor in the synthesis of non-proteinogenic amino acids that exhibit unique metabolic pathways and binding affinities. For instance, researchers have investigated its role in creating constrained analogs of natural amino acids, which can enhance drug stability and bioavailability. The branched side chain in this compound provides a scaffold for designing molecules that mimic the geometry of natural substrates while introducing modifications that improve pharmacokinetic profiles.
One of the most compelling aspects of 2-amino-4,6,6-trimethylheptanoic acid is its potential application in the development of enzyme inhibitors. Enzyme inhibition is a cornerstone of rational drug design, and compounds that can selectively target specific enzymatic pathways hold promise for treating a wide range of diseases. Studies have demonstrated that derivatives of this compound can interact with active sites of proteases and kinases, modulating their activity. For example, modifications to the side chain have been shown to enhance binding affinity while reducing off-target effects, making it an attractive candidate for further optimization.
The synthesis of 2-amino-4,6,6-trimethylheptanoic acid presents both challenges and opportunities for synthetic chemists. Traditional methods involve multi-step organic transformations that require careful control over reaction conditions to achieve high yields and purity. However, advances in catalytic chemistry have enabled more efficient routes to this compound, including asymmetric synthesis techniques that allow for the production of enantiomerically pure forms. Such developments are crucial for pharmaceutical applications where stereochemistry plays a pivotal role in biological activity.
Recent research has also highlighted the role of 2-amino-4,6,6-trimethylheptanoic acid in materials science. Its unique structural features make it a candidate for polymerization reactions that yield novel biodegradable polymers. These polymers have potential applications in drug delivery systems, where controlled release mechanisms are essential for therapeutic efficacy. The incorporation of this amino acid derivative into polymeric matrices can enhance stability while providing sites for covalent attachment of therapeutic agents.
In conclusion,2-amino-4,6,6-trimethylheptanoic acid (CAS No. 627910-24-1) is a multifaceted compound with significant implications across multiple domains of chemistry and biology. Its structural complexity offers opportunities for innovation in drug discovery, enzyme inhibition studies, and materials science. As research continues to uncover new applications for this compound,2-amino-4,6,6-trimethylheptanoic acid is poised to remain at the forefront of scientific exploration.