N-[(1,1-Dimethylethoxy)carbonyl]-N-methylglycine [2-(methylamino)-3-pyridinyl]methyl ester
[CAS# 1180002-01-0]

Identification

• Classification: Organic raw materials >> Carboxylic compounds and derivatives >> Carboxylic esters and their derivatives
• Name: N-[(1,1-Dimethylethoxy)carbonyl]-N-methylglycine [2-(methylamino)-3-pyridinyl]methyl ester
• Synonyms: [2-(methylamino)pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
• Molecular Formula: C₁₅H₂₃N₃O₄
• Molecular Weight: 309.36
• CAS Registry Number: 1180002-01-0
• SMILES: CC(C)(C)OC(=O)N(C)CC(=O)OCC1=C(N=CC=C1)NC

Properties

• Solubility: Slightly soluble (2.7 g/L) (25 °C), Calc.^*
• Density: 1.168±0.06 g/cm³ (20 °C 760 Torr), Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2016 ACD/Labs)

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319-H335
• Safety Statements: P261-P305+P351+P338

Discovery and Applications

N-[(1,1-Dimethylethoxy)carbonyl]-N-methylglycine [2-(methylamino)-3-pyridinyl]methyl ester is a chemical compound that has garnered attention for its potential applications in medicinal chemistry and drug development. This molecule is a derivative of N-methylglycine, also known as sarcosine, and incorporates a range of functional groups that contribute to its utility in designing new pharmaceutical agents. Its structure features a dimethylethoxycarbonyl protecting group, a methyl ester, and a pyridinyl group with a methylamino substituent, which collectively influence its reactivity and biological activity.

The compound was initially discovered as part of research aimed at developing new chemical entities with potential therapeutic applications. The inclusion of the 1,1-dimethylethoxycarbonyl group serves as a protecting group, which enhances the stability of the molecule and facilitates its use in synthetic pathways. The pyridinyl group, specifically substituted with a methylamino group, adds to the compound's potential as a ligand for various biological targets.

One significant application of N-[(1,1-Dimethylethoxy)carbonyl]-N-methylglycine [2-(methylamino)-3-pyridinyl]methyl ester is in the development of enzyme inhibitors. The structure of the compound allows it to interact with specific enzymes, potentially modifying their activity. For example, the compound can act as a substrate or inhibitor for enzymes involved in neurotransmitter regulation or metabolic pathways. The methylamino and pyridinyl groups contribute to the molecule's ability to bind selectively to enzyme active sites, making it a valuable tool for exploring new therapeutic targets.

In addition to its role as an enzyme inhibitor, this compound has potential applications as a precursor in the synthesis of more complex molecules. The methyl ester group can be hydrolyzed or modified to introduce additional functional groups, allowing for the creation of diverse chemical entities. This property makes it a useful intermediate in the synthesis of compounds with specific biological activities or pharmacological profiles. Researchers can use it to explore a wide range of chemical modifications, which may lead to the development of novel drugs with enhanced efficacy or reduced side effects.

The discovery of N-[(1,1-Dimethylethoxy)carbonyl]-N-methylglycine [2-(methylamino)-3-pyridinyl]methyl ester highlights its importance in pharmaceutical research. Its ability to act as both a stable intermediate and a potential enzyme modulator makes it a versatile compound in drug development. By leveraging its chemical properties, scientists can design and synthesize new therapeutic agents that target a variety of biological pathways.

Overall, N-[(1,1-Dimethylethoxy)carbonyl]-N-methylglycine [2-(methylamino)-3-pyridinyl]methyl ester represents a significant advancement in the field of medicinal chemistry. Its structure and reactivity open up possibilities for developing new drugs and exploring novel therapeutic approaches. As research continues, this compound is likely to play a crucial role in the creation of innovative solutions for treating a range of diseases.

References

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