10109-05-4

Basic information

• Product Name: 1,2,4-triazolyl-3-alanine
• Synonyms: 1,2,4-triazolyl-3-alanine;NSC76227;triazolealanine;(±)-2-Amino-3-(1,2,4-triazol-3-yl)propionic acid, DL-1,2,4-Triazole-3-alanine;1,2,4-Triazole-3-alanine;2-Amino-3-(4H-1,2,4-triazole-3-yl)propionic acid;H-(1,2,4-Triazol-3-yl)-D,L-alanine;α-Amino-1H-1,2,4-triazole-3-propionic acid
• CAS NO: 10109-05-4
• Molecular Formula: C₅H₈N₄O₂
• Molecular Weight: 156.14262
• EINECS: 233-301-2
• Mol File: 10109-05-4.mol

Chemical Properties

• Boiling Point: 454.1°Cat760mmHg
• Flash Point: 228.4°C
• Appearance: /
• Density: 1.527g/cm³
• Vapor Pressure: 4.9E-09mmHg at 25°C
• Refractive Index: 1.624
• Storage Temp.: −20°C
• CAS DataBase Reference: 1,2,4-triazolyl-3-alanine(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,4-triazolyl-3-alanine(10109-05-4)
• EPA Substance Registry System: 1,2,4-triazolyl-3-alanine(10109-05-4)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36
• Hazardous Substances Data: 10109-05-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1,2,4-triazolyl-3-alanine is used as a building block for the synthesis of novel pharmaceutical compounds, particularly those with potential therapeutic applications. The presence of the 1,2,4-triazol-3-yl group allows for the development of new drug candidates with improved pharmacological properties, such as enhanced bioavailability, selectivity, and potency.
Used in Chemical Research:
1,2,4-triazolyl-3-alanine serves as an important intermediate in the synthesis of various chemical compounds, including those with potential applications in materials science, agrochemistry, and other specialized fields. Its unique structure enables the exploration of new reaction pathways and the development of innovative synthetic strategies.
Used in Drug Design:
1,2,4-triazolyl-3-alanine is utilized in drug design to create new molecules with specific biological activities. The 1,2,4-triazol-3-yl group can be incorporated into drug candidates to modulate their interactions with target proteins, potentially leading to improved efficacy and selectivity. This amino acid derivative can be particularly useful in the development of targeted therapies for various diseases, including cancer, neurological disorders, and infectious diseases.
Used in Peptide Synthesis:
1,2,4-triazolyl-3-alanine can be incorporated into peptide sequences, allowing for the creation of novel peptide-based therapeutics and diagnostic agents. The unique properties of the 1,2,4-triazol-3-yl group can influence the conformation, stability, and biological activity of the resulting peptides, opening up new possibilities for peptide-based drug development.

InChI:InChI=1/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)

Upstream product

• 6326-44-9 diethyl 2-formylaminomalonate 

Relevant articles and documents

SYNTHESIS OF OCTADECYL ESTERS OF HISTIDINE AND OF 3-(1,2,4-TRIAZOL-3-YL)ALANINE AS POTENTIAL PLANT-GROWTH REGULATORS

Octadecyl esters of various derivatives of histidine and its analogue 3-(1,2,4-triazol-3-yl)alanine have been synthesized by the mixed-anhydride method. The energetically most favorable conformations of these compounds have been calculated by the Alchemy II program and a comparative analysis of them has been made with standard paclobutrazol with the aim of revealing possible biological activity. In a study of growth-regulating activity on various plants, it was shown the compounds synthesized affected the growth of the stems and roots and also led to an increase in the weight of seedlings. At the same time, no influence of the compounds tested on the germinating capacity of the seeds was detected.